3-[[(2S)-2-aminohexanoyl]amino]-4-chloro-N,N-dimethylbenzamide

C15H22ClN3O2 — CID 107143904

IUPAC3-[[(2S)-2-aminohexanoyl]amino]-4-chloro-N,N-dimethylbenzamide
SMILESCCCC[C@H](N)C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl
InChIInChI=1S/C15H22ClN3O2/c1-4-5-6-12(17)14(20)18-13-9-10(7-8-11(13)16)15(21)19(2)3/h7-9,12H,4-6,17H2,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyYWGOYLGRMGRMQN-LBPRGKRZSA-N
MW311.81 g/mol
LogP2.50
Rot. Bonds6

About 3-[[(2S)-2-aminohexanoyl]amino]-4-chloro-N,N-dimethylbenzamide

3-[[(2S)-2-aminohexanoyl]amino]-4-chloro-N,N-dimethylbenzamide (PubChem CID 107143904) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 3-[[(2S)-2-aminohexanoyl]amino]-4-chloro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[(2S)-2-aminohexanoyl]amino]-4-chloro-N,N-dimethylbenzamide
PubChem CID107143904
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name3-[[(2S)-2-aminohexanoyl]amino]-4-chloro-N,N-dimethylbenzamide
SMILESCCCC[C@H](N)C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl
InChIInChI=1S/C15H22ClN3O2/c1-4-5-6-12(17)14(20)18-13-9-10(7-8-11(13)16)15(21)19(2)3/h7-9,12H,4-6,17H2,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyYWGOYLGRMGRMQN-LBPRGKRZSA-N
XLogP2.50
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-chloro-5-fluorophenyl)hexanamide
CID 103831238
3-[[(2S)-2-aminopentanoyl]amino]-4-chlorobenzoic acid
CID 103869558
3-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-chloro-N,N-dimethylbenzamide
CID 79011608
3-[(5-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 104683767
(2S)-2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]hexanamide
CID 107143843
(2S)-2-amino-N-(2-chlorophenyl)hexanamide
CID 103830834
4-chloro-N,N-dimethyl-3-(pentylamino)benzamide
CID 43738706
3-(2-aminopentanoylamino)-4-ethoxy-N,N-dimethylbenzamide;hydrochloride
CID 119342429
3-[[(2S)-2-aminobutanoyl]amino]-N,N,4-trimethylbenzamide
CID 79024817
3-[(2-bromo-3-methylbutanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 43696142
[1-[2-chloro-5-(dimethylcarbamoyl)anilino]-3-ethoxy-1,3-dioxopropan-2-yl] 4-methylbenzoate
CID 18339482
(2S)-2-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide
CID 103831144

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-aminohexanoyl]amino]-4-chloro-N,N-dimethylbenzamide?
The IUPAC name of 3-[[(2S)-2-aminohexanoyl]amino]-4-chloro-N,N-dimethylbenzamide (CID 107143904) is 3-[[(2S)-2-aminohexanoyl]amino]-4-chloro-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[(2S)-2-aminohexanoyl]amino]-4-chloro-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[(2S)-2-aminohexanoyl]amino]-4-chloro-N,N-dimethylbenzamide is CCCC[C@H](N)C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl.
What is the InChIKey of 3-[[(2S)-2-aminohexanoyl]amino]-4-chloro-N,N-dimethylbenzamide?
The InChIKey is YWGOYLGRMGRMQN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-4-5-6-12(17)14(20)18-13-9-10(7-8-11(13)16)15(21)19(2)3/h7-9,12H,4-6,17H2,1-3H3,(H,18,20)/t12-/m0/s1.
What are the key properties of 3-[[(2S)-2-aminohexanoyl]amino]-4-chloro-N,N-dimethylbenzamide?
3-[[(2S)-2-aminohexanoyl]amino]-4-chloro-N,N-dimethylbenzamide has a molecular weight of 311.81 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-aminohexanoyl]amino]-4-chloro-N,N-dimethylbenzamide is sourced from PubChem (CID 107143904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).