4-[(2,5-dichlorophenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide

C19H20Cl2N4O3 — CID 121062389

IUPAC4-[(2,5-dichlorophenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide
SMILESCCC(=O)NCCNC(=O)c1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C19H20Cl2N4O3/c1-2-17(26)22-9-10-23-18(27)12-3-6-14(7-4-12)24-19(28)25-16-11-13(20)5-8-15(16)21/h3-8,11H,2,9-10H2,1H3,(H,22,26)(H,23,27)(H2,24,25,28)
InChIKeyPVZOJPPQSVSANP-UHFFFAOYSA-N
MW423.30 g/mol
LogP3.89
Rot. Bonds7

About 4-[(2,5-dichlorophenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide

4-[(2,5-dichlorophenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide (PubChem CID 121062389) has the molecular formula C19H20Cl2N4O3 and a molecular weight of 423.30 g/mol. Its IUPAC name is 4-[(2,5-dichlorophenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-[(2,5-dichlorophenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide
PubChem CID121062389
Molecular FormulaC19H20Cl2N4O3
Molecular Weight423.30 g/mol
Exact Mass422.09
IUPAC Name4-[(2,5-dichlorophenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide
SMILESCCC(=O)NCCNC(=O)c1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C19H20Cl2N4O3/c1-2-17(26)22-9-10-23-18(27)12-3-6-14(7-4-12)24-19(28)25-16-11-13(20)5-8-15(16)21/h3-8,11H,2,9-10H2,1H3,(H,22,26)(H,23,27)(H2,24,25,28)
InChIKeyPVZOJPPQSVSANP-UHFFFAOYSA-N
XLogP3.89
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 53.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide
CID 121063265
4-[(2,5-dimethylphenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062388
4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062260
ethyl N-[4-[[2-(2,5-dichloroanilino)-2-oxoethyl]carbamoyl]phenyl]carbamate
CID 9152510
4-chloro-N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide
CID 9439469
1-(2,5-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 108886172
4-[[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylbenzamide
CID 55802304
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[(3,4-dichlorophenyl)carbamoylamino]benzamide
CID 121062566
4-[(4-methoxybenzoyl)amino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062271
N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide
CID 121063298
4-phenyl-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide
CID 121062289
N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide
CID 46809375

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dichlorophenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide?
The IUPAC name of 4-[(2,5-dichlorophenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide (CID 121062389) is 4-[(2,5-dichlorophenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide.
What is the SMILES notation for 4-[(2,5-dichlorophenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide?
The canonical SMILES for 4-[(2,5-dichlorophenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide is CCC(=O)NCCNC(=O)c1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 4-[(2,5-dichlorophenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide?
The InChIKey is PVZOJPPQSVSANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O3/c1-2-17(26)22-9-10-23-18(27)12-3-6-14(7-4-12)24-19(28)25-16-11-13(20)5-8-15(16)21/h3-8,11H,2,9-10H2,1H3,(H,22,26)(H,23,27)(H2,24,25,28).
What are the key properties of 4-[(2,5-dichlorophenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide?
4-[(2,5-dichlorophenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide has a molecular weight of 423.30 g/mol, XLogP of 3.89, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dichlorophenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide is sourced from PubChem (CID 121062389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).