N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]pentanamide

C19H20ClN3O3 — CID 4940346

IUPACN-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H20ClN3O3/c1-2-3-7-17(24)21-16-10-8-13(9-11-16)18(25)22-23-19(26)14-5-4-6-15(20)12-14/h4-6,8-12H,2-3,7H2,1H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyZVHVIJISJPRJQN-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.54
Rot. Bonds6

About N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]pentanamide

N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]pentanamide (PubChem CID 4940346) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]pentanamide
PubChem CID4940346
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC NameN-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H20ClN3O3/c1-2-3-7-17(24)21-16-10-8-13(9-11-16)18(25)22-23-19(26)14-5-4-6-15(20)12-14/h4-6,8-12H,2-3,7H2,1H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyZVHVIJISJPRJQN-UHFFFAOYSA-N
XLogP3.54
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[[6-oxo-6-[2-[4-(pentanoylamino)benzoyl]hydrazinyl]hexanoyl]amino]carbamoyl]phenyl]pentanamide
CID 4926555
N-[4-[[(3-nitrobenzoyl)amino]carbamoyl]phenyl]pentanamide
CID 4926283
N-[4-[[(3-chlorophenyl)carbamoylamino]carbamoyl]phenyl]butanamide
CID 4922849
N-[4-[(hexanoylamino)carbamoyl]phenyl]pentanamide
CID 4953980
N-(3,5-dichlorophenyl)-4-(pentanoylamino)benzamide
CID 4630686
N-[4-[(octanoylamino)carbamoyl]phenyl]pentanamide
CID 4958829
N-[4-(butylcarbamoyl)phenyl]-3-chlorobenzamide
CID 17195208
N-[4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]pentanamide
CID 4926287
N'-(4-butoxybenzoyl)-3-chlorobenzohydrazide
CID 9475751
N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide
CID 4940345
N-[4-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]phenyl]pentanamide
CID 4926324
N-[4-[(ethylcarbamothioylamino)carbamoyl]phenyl]pentanamide
CID 4930340

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]pentanamide?
The IUPAC name of N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]pentanamide (CID 4940346) is N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]pentanamide.
What is the SMILES notation for N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]pentanamide?
The canonical SMILES for N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]pentanamide is CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]pentanamide?
The InChIKey is ZVHVIJISJPRJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-2-3-7-17(24)21-16-10-8-13(9-11-16)18(25)22-23-19(26)14-5-4-6-15(20)12-14/h4-6,8-12H,2-3,7H2,1H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]pentanamide?
N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]pentanamide has a molecular weight of 373.84 g/mol, XLogP of 3.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]pentanamide is sourced from PubChem (CID 4940346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).