3-[(5-amino-4-methylpentanoyl)amino]-4-chloro-N-methylbenzamide

C14H20ClN3O2 — CID 82012587

IUPAC3-[(5-amino-4-methylpentanoyl)amino]-4-chloro-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)CCC(C)CN)c1
InChIInChI=1S/C14H20ClN3O2/c1-9(8-16)3-6-13(19)18-12-7-10(14(20)17-2)4-5-11(12)15/h4-5,7,9H,3,6,8,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyKSKQKYPCIVCMOX-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.01
Rot. Bonds6

About 3-[(5-amino-4-methylpentanoyl)amino]-4-chloro-N-methylbenzamide

3-[(5-amino-4-methylpentanoyl)amino]-4-chloro-N-methylbenzamide (PubChem CID 82012587) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-[(5-amino-4-methylpentanoyl)amino]-4-chloro-N-methylbenzamide.

Molecular Properties

Compound Name3-[(5-amino-4-methylpentanoyl)amino]-4-chloro-N-methylbenzamide
PubChem CID82012587
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name3-[(5-amino-4-methylpentanoyl)amino]-4-chloro-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)CCC(C)CN)c1
InChIInChI=1S/C14H20ClN3O2/c1-9(8-16)3-6-13(19)18-12-7-10(14(20)17-2)4-5-11(12)15/h4-5,7,9H,3,6,8,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyKSKQKYPCIVCMOX-UHFFFAOYSA-N
XLogP2.01
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide
CID 82683232
2-[(5-amino-4-methylpentanoyl)amino]-N-methylbenzamide
CID 82016802
4-chloro-N-methyl-3-(2-methylpropylcarbamoylamino)benzamide
CID 47223817
5-amino-N-(3-chloro-4-methylphenyl)-4-methylpentanamide
CID 82683230
4-(4-hydroxypentanoylamino)-N,3-dimethylbenzamide
CID 79204777
3-(5-aminohexanoylamino)-4-chlorobenzoic acid
CID 82852012
4-[(5-amino-4-methylpentanoyl)amino]-2-chlorobenzamide
CID 82010894
3-[(2-amino-2-methylbutanoyl)amino]-4-chloro-N-methylbenzamide
CID 79796922
3-(3-amino-2-methylpropyl)sulfanyl-N-(2,5-dichlorophenyl)propanamide
CID 66224538
3-(3-aminopropanoylamino)-4-chloro-N-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 119309782
4-amino-N-(2-chloro-5-cyanophenyl)-3-methylbutanamide
CID 81079180
methyl 5-[(5-amino-4-methylpentanoyl)amino]-2-chlorobenzoate
CID 82011968

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-4-methylpentanoyl)amino]-4-chloro-N-methylbenzamide?
The IUPAC name of 3-[(5-amino-4-methylpentanoyl)amino]-4-chloro-N-methylbenzamide (CID 82012587) is 3-[(5-amino-4-methylpentanoyl)amino]-4-chloro-N-methylbenzamide.
What is the SMILES notation for 3-[(5-amino-4-methylpentanoyl)amino]-4-chloro-N-methylbenzamide?
The canonical SMILES for 3-[(5-amino-4-methylpentanoyl)amino]-4-chloro-N-methylbenzamide is CNC(=O)c1ccc(Cl)c(NC(=O)CCC(C)CN)c1.
What is the InChIKey of 3-[(5-amino-4-methylpentanoyl)amino]-4-chloro-N-methylbenzamide?
The InChIKey is KSKQKYPCIVCMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-9(8-16)3-6-13(19)18-12-7-10(14(20)17-2)4-5-11(12)15/h4-5,7,9H,3,6,8,16H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 3-[(5-amino-4-methylpentanoyl)amino]-4-chloro-N-methylbenzamide?
3-[(5-amino-4-methylpentanoyl)amino]-4-chloro-N-methylbenzamide has a molecular weight of 297.79 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-4-methylpentanoyl)amino]-4-chloro-N-methylbenzamide is sourced from PubChem (CID 82012587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).