N-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]-N-(furan-2-ylmethyl)acetamide

C24H23ClFN3O3 — CID 1058441

IUPACN-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN(C(=O)Nc1ccc(F)c(Cl)c1)C1CC1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C24H23ClFN3O3/c25-21-13-18(8-11-22(21)26)27-24(31)29(19-9-10-19)16-23(30)28(15-20-7-4-12-32-20)14-17-5-2-1-3-6-17/h1-8,11-13,19H,9-10,14-16H2,(H,27,31)
InChIKeyVEQMKFTVPRBVHF-UHFFFAOYSA-N
MW455.92 g/mol
LogP5.30
Rot. Bonds8

About N-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]-N-(furan-2-ylmethyl)acetamide

N-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 1058441) has the molecular formula C24H23ClFN3O3 and a molecular weight of 455.92 g/mol. Its IUPAC name is N-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]-N-(furan-2-ylmethyl)acetamide
PubChem CID1058441
Molecular FormulaC24H23ClFN3O3
Molecular Weight455.92 g/mol
Exact Mass455.14
IUPAC NameN-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN(C(=O)Nc1ccc(F)c(Cl)c1)C1CC1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C24H23ClFN3O3/c25-21-13-18(8-11-22(21)26)27-24(31)29(19-9-10-19)16-23(30)28(15-20-7-4-12-32-20)14-17-5-2-1-3-6-17/h1-8,11-13,19H,9-10,14-16H2,(H,27,31)
InChIKeyVEQMKFTVPRBVHF-UHFFFAOYSA-N
XLogP5.30
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.92
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[cyclopropyl-[(3-methoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 1058435
N-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 3256305
2-[cyclopropyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3935358
2-[acetyl(cyclopropyl)amino]-N-benzyl-N-(furan-2-ylmethyl)acetamide
CID 4281415
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide
CID 1058293
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-3-methylbutanamide
CID 4588626
3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 1058655
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropylpentanamide
CID 3955195
N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-cyclohexylamino]-N-(furan-2-ylmethyl)acetamide
CID 5226008
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methylpropanamide
CID 3988895
2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4045932
N-benzyl-2-[(2,4-dichlorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 3682047

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]-N-(furan-2-ylmethyl)acetamide (CID 1058441) is N-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]-N-(furan-2-ylmethyl)acetamide is O=C(CN(C(=O)Nc1ccc(F)c(Cl)c1)C1CC1)N(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of N-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is VEQMKFTVPRBVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O3/c25-21-13-18(8-11-22(21)26)27-24(31)29(19-9-10-19)16-23(30)28(15-20-7-4-12-32-20)14-17-5-2-1-3-6-17/h1-8,11-13,19H,9-10,14-16H2,(H,27,31).
What are the key properties of N-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]-N-(furan-2-ylmethyl)acetamide?
N-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 455.92 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 1058441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).