4-acetamido-5-chloro-2-methoxy-N-[(2R)-pentan-2-yl]benzamide

C15H21ClN2O3 — CID 7379277

IUPAC4-acetamido-5-chloro-2-methoxy-N-[(2R)-pentan-2-yl]benzamide
SMILESCCC[C@@H](C)NC(=O)c1cc(Cl)c(NC(C)=O)cc1OC
InChIInChI=1S/C15H21ClN2O3/c1-5-6-9(2)17-15(20)11-7-12(16)13(18-10(3)19)8-14(11)21-4/h7-9H,5-6H2,1-4H3,(H,17,20)(H,18,19)/t9-/m1/s1
InChIKeyUKRSFOAIBLFNAZ-SECBINFHSA-N
MW312.80 g/mol
LogP3.23
Rot. Bonds6

About 4-acetamido-5-chloro-2-methoxy-N-[(2R)-pentan-2-yl]benzamide

4-acetamido-5-chloro-2-methoxy-N-[(2R)-pentan-2-yl]benzamide (PubChem CID 7379277) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 4-acetamido-5-chloro-2-methoxy-N-[(2R)-pentan-2-yl]benzamide.

Molecular Properties

Compound Name4-acetamido-5-chloro-2-methoxy-N-[(2R)-pentan-2-yl]benzamide
PubChem CID7379277
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name4-acetamido-5-chloro-2-methoxy-N-[(2R)-pentan-2-yl]benzamide
SMILESCCC[C@@H](C)NC(=O)c1cc(Cl)c(NC(C)=O)cc1OC
InChIInChI=1S/C15H21ClN2O3/c1-5-6-9(2)17-15(20)11-7-12(16)13(18-10(3)19)8-14(11)21-4/h7-9H,5-6H2,1-4H3,(H,17,20)(H,18,19)/t9-/m1/s1
InChIKeyUKRSFOAIBLFNAZ-SECBINFHSA-N
XLogP3.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-5-chloro-2-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 7356959
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CID 154085397
4-acetamido-5-chloro-2-methoxy-N,N-dipropylbenzamide
CID 17257104
4-acetamido-5-chloro-N-(2-ethylphenyl)-2-methoxybenzamide
CID 17257106
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
4-acetamido-5-chloro-N-(3-ethoxypropyl)-2-methoxybenzamide
CID 4006974
4-acetamido-5-chloro-2-methoxy-N-(3-oxoprop-1-en-2-yl)benzamide
CID 10613903
4-acetamido-5-chloro-N-(2,3-dichlorophenyl)-2-methoxybenzamide
CID 17257142
4-acetamido-5-chloro-2-methoxy-N-(2-methylphenyl)benzamide
CID 17257138
4-acetamido-5-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 17257105
methyl 2-[(4-acetamido-5-chloro-2-methoxybenzoyl)amino]benzoate
CID 2988921
4-amino-5-chloro-N-(5-hydroxypentan-2-yl)-2-methoxybenzamide
CID 119790445

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-5-chloro-2-methoxy-N-[(2R)-pentan-2-yl]benzamide?
The IUPAC name of 4-acetamido-5-chloro-2-methoxy-N-[(2R)-pentan-2-yl]benzamide (CID 7379277) is 4-acetamido-5-chloro-2-methoxy-N-[(2R)-pentan-2-yl]benzamide.
What is the SMILES notation for 4-acetamido-5-chloro-2-methoxy-N-[(2R)-pentan-2-yl]benzamide?
The canonical SMILES for 4-acetamido-5-chloro-2-methoxy-N-[(2R)-pentan-2-yl]benzamide is CCC[C@@H](C)NC(=O)c1cc(Cl)c(NC(C)=O)cc1OC.
What is the InChIKey of 4-acetamido-5-chloro-2-methoxy-N-[(2R)-pentan-2-yl]benzamide?
The InChIKey is UKRSFOAIBLFNAZ-SECBINFHSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-5-6-9(2)17-15(20)11-7-12(16)13(18-10(3)19)8-14(11)21-4/h7-9H,5-6H2,1-4H3,(H,17,20)(H,18,19)/t9-/m1/s1.
What are the key properties of 4-acetamido-5-chloro-2-methoxy-N-[(2R)-pentan-2-yl]benzamide?
4-acetamido-5-chloro-2-methoxy-N-[(2R)-pentan-2-yl]benzamide has a molecular weight of 312.80 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-5-chloro-2-methoxy-N-[(2R)-pentan-2-yl]benzamide is sourced from PubChem (CID 7379277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).