2-(2-aminopentanoylamino)-5-chloro-N-(cyclopropylmethyl)benzamide

C16H22ClN3O2 — CID 119282987

IUPAC2-(2-aminopentanoylamino)-5-chloro-N-(cyclopropylmethyl)benzamide
SMILESCCCC(N)C(=O)Nc1ccc(Cl)cc1C(=O)NCC1CC1
InChIInChI=1S/C16H22ClN3O2/c1-2-3-13(18)16(22)20-14-7-6-11(17)8-12(14)15(21)19-9-10-4-5-10/h6-8,10,13H,2-5,9,18H2,1H3,(H,19,21)(H,20,22)
InChIKeyKPTOGNDJVPVMJE-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.55
Rot. Bonds7

About 2-(2-aminopentanoylamino)-5-chloro-N-(cyclopropylmethyl)benzamide

2-(2-aminopentanoylamino)-5-chloro-N-(cyclopropylmethyl)benzamide (PubChem CID 119282987) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 2-(2-aminopentanoylamino)-5-chloro-N-(cyclopropylmethyl)benzamide.

Molecular Properties

Compound Name2-(2-aminopentanoylamino)-5-chloro-N-(cyclopropylmethyl)benzamide
PubChem CID119282987
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name2-(2-aminopentanoylamino)-5-chloro-N-(cyclopropylmethyl)benzamide
SMILESCCCC(N)C(=O)Nc1ccc(Cl)cc1C(=O)NCC1CC1
InChIInChI=1S/C16H22ClN3O2/c1-2-3-13(18)16(22)20-14-7-6-11(17)8-12(14)15(21)19-9-10-4-5-10/h6-8,10,13H,2-5,9,18H2,1H3,(H,19,21)(H,20,22)
InChIKeyKPTOGNDJVPVMJE-UHFFFAOYSA-N
XLogP2.55
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide
CID 62173260
ethyl (Z)-4-[4-chloro-2-(cyclopropylmethylcarbamoyl)anilino]-4-oxobut-2-enoate
CID 66921446
2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]pentanamide
CID 43650065
5-chloro-N-(cyclohexylmethyl)-2-(ethylamino)benzamide
CID 63500418
5-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethylbenzamide;hydrochloride
CID 119770124
5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 119711773
5-chloro-2-(cyclopropylmethylcarbamoylamino)benzoic acid
CID 61182658
5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride
CID 119711772
2-amino-4-chloro-N-(cyclopropylmethyl)benzamide
CID 16793100
5-chloro-N-(cyclobutylmethyl)-2-(methanesulfonamido)benzamide
CID 49194436
5-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-2-hydrazinylbenzamide
CID 62238235
(2S)-2-amino-N-(4-chloro-2-fluorophenyl)hexanamide
CID 103830888

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopentanoylamino)-5-chloro-N-(cyclopropylmethyl)benzamide?
The IUPAC name of 2-(2-aminopentanoylamino)-5-chloro-N-(cyclopropylmethyl)benzamide (CID 119282987) is 2-(2-aminopentanoylamino)-5-chloro-N-(cyclopropylmethyl)benzamide.
What is the SMILES notation for 2-(2-aminopentanoylamino)-5-chloro-N-(cyclopropylmethyl)benzamide?
The canonical SMILES for 2-(2-aminopentanoylamino)-5-chloro-N-(cyclopropylmethyl)benzamide is CCCC(N)C(=O)Nc1ccc(Cl)cc1C(=O)NCC1CC1.
What is the InChIKey of 2-(2-aminopentanoylamino)-5-chloro-N-(cyclopropylmethyl)benzamide?
The InChIKey is KPTOGNDJVPVMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-2-3-13(18)16(22)20-14-7-6-11(17)8-12(14)15(21)19-9-10-4-5-10/h6-8,10,13H,2-5,9,18H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-(2-aminopentanoylamino)-5-chloro-N-(cyclopropylmethyl)benzamide?
2-(2-aminopentanoylamino)-5-chloro-N-(cyclopropylmethyl)benzamide has a molecular weight of 323.82 g/mol, XLogP of 2.55, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopentanoylamino)-5-chloro-N-(cyclopropylmethyl)benzamide is sourced from PubChem (CID 119282987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).