N-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]acetamide

C18H18ClN3O3 — CID 17179121

IUPACN-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)NNC(=O)CCc2ccccc2Cl)cc1
InChIInChI=1S/C18H18ClN3O3/c1-12(23)20-15-9-6-14(7-10-15)18(25)22-21-17(24)11-8-13-4-2-3-5-16(13)19/h2-7,9-10H,8,11H2,1H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyRSLVTPHYLOUEQP-UHFFFAOYSA-N
MW359.81 g/mol
LogP2.69
Rot. Bonds5

About N-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]acetamide

N-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]acetamide (PubChem CID 17179121) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is N-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]acetamide
PubChem CID17179121
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC NameN-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)NNC(=O)CCc2ccccc2Cl)cc1
InChIInChI=1S/C18H18ClN3O3/c1-12(23)20-15-9-6-14(7-10-15)18(25)22-21-17(24)11-8-13-4-2-3-5-16(13)19/h2-7,9-10H,8,11H2,1H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyRSLVTPHYLOUEQP-UHFFFAOYSA-N
XLogP2.69
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 52.69
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-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 17179166
N'-[3-(2-chlorophenyl)propanoyl]-4-phenylbenzohydrazide
CID 17179113
4-[3-(2-chlorophenyl)propanoylamino]-N-(1-phenylethyl)benzamide
CID 43887660
N'-(3-aminopropanoyl)-3-(2-chlorophenyl)propanehydrazide
CID 94279919
N'-[3-(2-chlorophenyl)propanoyl]pyridine-3-carbohydrazide
CID 30944808
[4-[[4-[3-(2-chlorophenyl)propanoylamino]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108930688
4-[3-(2-chlorophenyl)propanoylamino]-N-methyl-N-phenylbenzamide
CID 17230319
N-[4-(azepane-1-carbonyl)phenyl]-3-(2-chlorophenyl)propanamide
CID 17199159
N-tert-butyl-4-[3-(2,3-dichlorophenyl)propanoylamino]benzamide
CID 38950553
N'-[3-(2-chlorophenyl)propanoyl]furan-2-carbohydrazide
CID 29436828
N-[4-[(3-phenylpropanoylamino)carbamoyl]phenyl]propanamide
CID 600576
4-[2-[4-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 5120993

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]acetamide (CID 17179121) is N-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)NNC(=O)CCc2ccccc2Cl)cc1.
What is the InChIKey of N-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]acetamide?
The InChIKey is RSLVTPHYLOUEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-12(23)20-15-9-6-14(7-10-15)18(25)22-21-17(24)11-8-13-4-2-3-5-16(13)19/h2-7,9-10H,8,11H2,1H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of N-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]acetamide?
N-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]acetamide has a molecular weight of 359.81 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]acetamide is sourced from PubChem (CID 17179121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).