5-(2-aminohexanoylamino)-2-chloro-N-methylbenzamide

C14H20ClN3O2 — CID 60928001

IUPAC5-(2-aminohexanoylamino)-2-chloro-N-methylbenzamide
SMILESCCCCC(N)C(=O)Nc1ccc(Cl)c(C(=O)NC)c1
InChIInChI=1S/C14H20ClN3O2/c1-3-4-5-12(16)14(20)18-9-6-7-11(15)10(8-9)13(19)17-2/h6-8,12H,3-5,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyBWWVXWHMNVYDJU-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.16
Rot. Bonds6

About 5-(2-aminohexanoylamino)-2-chloro-N-methylbenzamide

5-(2-aminohexanoylamino)-2-chloro-N-methylbenzamide (PubChem CID 60928001) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 5-(2-aminohexanoylamino)-2-chloro-N-methylbenzamide.

Molecular Properties

Compound Name5-(2-aminohexanoylamino)-2-chloro-N-methylbenzamide
PubChem CID60928001
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name5-(2-aminohexanoylamino)-2-chloro-N-methylbenzamide
SMILESCCCCC(N)C(=O)Nc1ccc(Cl)c(C(=O)NC)c1
InChIInChI=1S/C14H20ClN3O2/c1-3-4-5-12(16)14(20)18-9-6-7-11(15)10(8-9)13(19)17-2/h6-8,12H,3-5,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyBWWVXWHMNVYDJU-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(3-chloro-4-methylphenyl)hexanamide
CID 113304721
5-[[(2S)-2-aminopentanoyl]amino]-2-chlorobenzamide
CID 107568557
2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]hexanamide
CID 60852209
2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248
(2S)-2-amino-N-(3-chloro-4-propoxyphenyl)hexanamide
CID 103831329
2-chloro-N-methyl-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79196615
(2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]hexanamide
CID 103830934
4-[[(2S)-2-aminohexanoyl]amino]-2-hydroxybenzoic acid
CID 107144725
N-(1-aminohexan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119668857
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-methylbenzamide
CID 119742691
N-(3-acetamidophenyl)-2-aminohexanamide
CID 60852572
2-amino-N-(3-iodo-4-methylphenyl)hexanamide
CID 60853696

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminohexanoylamino)-2-chloro-N-methylbenzamide?
The IUPAC name of 5-(2-aminohexanoylamino)-2-chloro-N-methylbenzamide (CID 60928001) is 5-(2-aminohexanoylamino)-2-chloro-N-methylbenzamide.
What is the SMILES notation for 5-(2-aminohexanoylamino)-2-chloro-N-methylbenzamide?
The canonical SMILES for 5-(2-aminohexanoylamino)-2-chloro-N-methylbenzamide is CCCCC(N)C(=O)Nc1ccc(Cl)c(C(=O)NC)c1.
What is the InChIKey of 5-(2-aminohexanoylamino)-2-chloro-N-methylbenzamide?
The InChIKey is BWWVXWHMNVYDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-3-4-5-12(16)14(20)18-9-6-7-11(15)10(8-9)13(19)17-2/h6-8,12H,3-5,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 5-(2-aminohexanoylamino)-2-chloro-N-methylbenzamide?
5-(2-aminohexanoylamino)-2-chloro-N-methylbenzamide has a molecular weight of 297.79 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminohexanoylamino)-2-chloro-N-methylbenzamide is sourced from PubChem (CID 60928001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).