5-[[(2S)-2-aminopentanoyl]amino]-2-chlorobenzamide

C12H16ClN3O2 — CID 107568557

IUPAC5-[[(2S)-2-aminopentanoyl]amino]-2-chlorobenzamide
SMILESCCC[C@H](N)C(=O)Nc1ccc(Cl)c(C(N)=O)c1
InChIInChI=1S/C12H16ClN3O2/c1-2-3-10(14)12(18)16-7-4-5-9(13)8(6-7)11(15)17/h4-6,10H,2-3,14H2,1H3,(H2,15,17)(H,16,18)/t10-/m0/s1
InChIKeyGSFVWJJRCQPHMW-JTQLQIEISA-N
MW269.73 g/mol
LogP1.50
Rot. Bonds5

About 5-[[(2S)-2-aminopentanoyl]amino]-2-chlorobenzamide

5-[[(2S)-2-aminopentanoyl]amino]-2-chlorobenzamide (PubChem CID 107568557) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 5-[[(2S)-2-aminopentanoyl]amino]-2-chlorobenzamide.

Molecular Properties

Compound Name5-[[(2S)-2-aminopentanoyl]amino]-2-chlorobenzamide
PubChem CID107568557
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name5-[[(2S)-2-aminopentanoyl]amino]-2-chlorobenzamide
SMILESCCC[C@H](N)C(=O)Nc1ccc(Cl)c(C(N)=O)c1
InChIInChI=1S/C12H16ClN3O2/c1-2-3-10(14)12(18)16-7-4-5-9(13)8(6-7)11(15)17/h4-6,10H,2-3,14H2,1H3,(H2,15,17)(H,16,18)/t10-/m0/s1
InChIKeyGSFVWJJRCQPHMW-JTQLQIEISA-N
XLogP1.50
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-aminopentanoylamino)-2-methylbenzamide;hydrochloride
CID 119316574
5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide
CID 107568539
4-(2-aminopentanoylamino)-2-chlorobenzoic acid
CID 61399026
2-amino-N-(3-chloro-4-fluorophenyl)pentanamide
CID 43650208
(2R)-2-amino-N-(4-chlorophenyl)pentanamide
CID 93255469
5-(2-aminohexanoylamino)-2-chloro-N-methylbenzamide
CID 60928001
5-(2-aminopentanoylamino)-2-methylbenzoic acid
CID 63654195
2-chloro-5-[[3-(ethylamino)-2-methylpropanoyl]amino]benzamide
CID 55122685
(2S)-2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide
CID 107680682
4-(2-aminopentanoylamino)benzamide;hydrochloride
CID 119262578
2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide
CID 107680705
4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-chlorobenzamide
CID 61179378

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-aminopentanoyl]amino]-2-chlorobenzamide?
The IUPAC name of 5-[[(2S)-2-aminopentanoyl]amino]-2-chlorobenzamide (CID 107568557) is 5-[[(2S)-2-aminopentanoyl]amino]-2-chlorobenzamide.
What is the SMILES notation for 5-[[(2S)-2-aminopentanoyl]amino]-2-chlorobenzamide?
The canonical SMILES for 5-[[(2S)-2-aminopentanoyl]amino]-2-chlorobenzamide is CCC[C@H](N)C(=O)Nc1ccc(Cl)c(C(N)=O)c1.
What is the InChIKey of 5-[[(2S)-2-aminopentanoyl]amino]-2-chlorobenzamide?
The InChIKey is GSFVWJJRCQPHMW-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-2-3-10(14)12(18)16-7-4-5-9(13)8(6-7)11(15)17/h4-6,10H,2-3,14H2,1H3,(H2,15,17)(H,16,18)/t10-/m0/s1.
What are the key properties of 5-[[(2S)-2-aminopentanoyl]amino]-2-chlorobenzamide?
5-[[(2S)-2-aminopentanoyl]amino]-2-chlorobenzamide has a molecular weight of 269.73 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-aminopentanoyl]amino]-2-chlorobenzamide is sourced from PubChem (CID 107568557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).