3-[(2,4-dichlorophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

C25H25Cl2N3O3 — CID 42699899

IUPAC3-[(2,4-dichlorophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESO=C(CCN(Cc1ccco1)C(=O)Nc1ccc(Cl)cc1Cl)NC1CCCc2ccccc21
InChIInChI=1S/C25H25Cl2N3O3/c26-18-10-11-23(21(27)15-18)29-25(32)30(16-19-7-4-14-33-19)13-12-24(31)28-22-9-3-6-17-5-1-2-8-20(17)22/h1-2,4-5,7-8,10-11,14-15,22H,3,6,9,12-13,16H2,(H,28,31)(H,29,32)
InChIKeyRPTNVSGWXNKTRY-UHFFFAOYSA-N
MW486.40 g/mol
LogP6.20
Rot. Bonds7

About 3-[(2,4-dichlorophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

3-[(2,4-dichlorophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (PubChem CID 42699899) has the molecular formula C25H25Cl2N3O3 and a molecular weight of 486.40 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
PubChem CID42699899
Molecular FormulaC25H25Cl2N3O3
Molecular Weight486.40 g/mol
Exact Mass485.13
IUPAC Name3-[(2,4-dichlorophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESO=C(CCN(Cc1ccco1)C(=O)Nc1ccc(Cl)cc1Cl)NC1CCCc2ccccc21
InChIInChI=1S/C25H25Cl2N3O3/c26-18-10-11-23(21(27)15-18)29-25(32)30(16-19-7-4-14-33-19)13-12-24(31)28-22-9-3-6-17-5-1-2-8-20(17)22/h1-2,4-5,7-8,10-11,14-15,22H,3,6,9,12-13,16H2,(H,28,31)(H,29,32)
InChIKeyRPTNVSGWXNKTRY-UHFFFAOYSA-N
XLogP6.20
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.40
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2,4-dichlorophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
CID 42773317
N-benzyl-2-[(2,4-dichlorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 3682047
2,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2124760
2,4-dichloro-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide
CID 46520269
2-(4-chloro-2-fluorophenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 100671726
3-(4-chlorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 7919825
4-(2,5-dichloro-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 28569839
N-(2,4-dichlorophenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138586
1-(2-chlorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 841694
1-(furan-2-ylmethyl)-1-(2-hydroxyethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 118763639
3-[butylcarbamoyl(propyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 42698686
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43872076

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The IUPAC name of 3-[(2,4-dichlorophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (CID 42699899) is 3-[(2,4-dichlorophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The canonical SMILES for 3-[(2,4-dichlorophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is O=C(CCN(Cc1ccco1)C(=O)Nc1ccc(Cl)cc1Cl)NC1CCCc2ccccc21.
What is the InChIKey of 3-[(2,4-dichlorophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The InChIKey is RPTNVSGWXNKTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N3O3/c26-18-10-11-23(21(27)15-18)29-25(32)30(16-19-7-4-14-33-19)13-12-24(31)28-22-9-3-6-17-5-1-2-8-20(17)22/h1-2,4-5,7-8,10-11,14-15,22H,3,6,9,12-13,16H2,(H,28,31)(H,29,32).
What are the key properties of 3-[(2,4-dichlorophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
3-[(2,4-dichlorophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide has a molecular weight of 486.40 g/mol, XLogP of 6.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is sourced from PubChem (CID 42699899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).