N-[2-(3-aminopropanoylamino)phenyl]-2-chlorobenzamide

C16H16ClN3O2 — CID 92944462

IUPACN-[2-(3-aminopropanoylamino)phenyl]-2-chlorobenzamide
SMILESNCCC(=O)Nc1ccccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C16H16ClN3O2/c17-12-6-2-1-5-11(12)16(22)20-14-8-4-3-7-13(14)19-15(21)9-10-18/h1-8H,9-10,18H2,(H,19,21)(H,20,22)
InChIKeyQAIFFDDSVIMUPG-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.88
Rot. Bonds5

About N-[2-(3-aminopropanoylamino)phenyl]-2-chlorobenzamide

N-[2-(3-aminopropanoylamino)phenyl]-2-chlorobenzamide (PubChem CID 92944462) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is N-[2-(3-aminopropanoylamino)phenyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(3-aminopropanoylamino)phenyl]-2-chlorobenzamide
PubChem CID92944462
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC NameN-[2-(3-aminopropanoylamino)phenyl]-2-chlorobenzamide
SMILESNCCC(=O)Nc1ccccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C16H16ClN3O2/c17-12-6-2-1-5-11(12)16(22)20-14-8-4-3-7-13(14)19-15(21)9-10-18/h1-8H,9-10,18H2,(H,19,21)(H,20,22)
InChIKeyQAIFFDDSVIMUPG-UHFFFAOYSA-N
XLogP2.88
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
N-(2-aminophenyl)-2-chlorobenzamide
CID 684680
2-(3-aminopropanoylamino)benzamide
CID 22692052
3-amino-N-(3-chloro-2-fluorophenyl)propanamide
CID 28969296
2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride
CID 119273488
N-(2-anilinophenyl)-2-chlorobenzamide
CID 86018002
N-[2-(3-aminopropanoylamino)phenyl]-4-methylbenzamide
CID 82034348
2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzamide
CID 110676330
N-(2-chlorophenyl)-2-hydrazinylbenzamide
CID 62248319
2-(3-aminopropanoylamino)-N-propan-2-ylbenzamide
CID 119279299
3-amino-N-(3-chloro-2-methoxyphenyl)propanamide
CID 119280772
N-[2-(aminomethyl)phenyl]-2,3-dichlorobenzamide
CID 64882330

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminopropanoylamino)phenyl]-2-chlorobenzamide?
The IUPAC name of N-[2-(3-aminopropanoylamino)phenyl]-2-chlorobenzamide (CID 92944462) is N-[2-(3-aminopropanoylamino)phenyl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-(3-aminopropanoylamino)phenyl]-2-chlorobenzamide?
The canonical SMILES for N-[2-(3-aminopropanoylamino)phenyl]-2-chlorobenzamide is NCCC(=O)Nc1ccccc1NC(=O)c1ccccc1Cl.
What is the InChIKey of N-[2-(3-aminopropanoylamino)phenyl]-2-chlorobenzamide?
The InChIKey is QAIFFDDSVIMUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c17-12-6-2-1-5-11(12)16(22)20-14-8-4-3-7-13(14)19-15(21)9-10-18/h1-8H,9-10,18H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-(3-aminopropanoylamino)phenyl]-2-chlorobenzamide?
N-[2-(3-aminopropanoylamino)phenyl]-2-chlorobenzamide has a molecular weight of 317.78 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminopropanoylamino)phenyl]-2-chlorobenzamide is sourced from PubChem (CID 92944462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).