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

C20H23ClN2O3 — CID 7356959

IUPAC4-acetamido-5-chloro-2-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
SMILESCOc1cc(NC(C)=O)c(Cl)cc1C(=O)N[C@H](C)CCc1ccccc1
InChIInChI=1S/C20H23ClN2O3/c1-13(9-10-15-7-5-4-6-8-15)22-20(25)16-11-17(21)18(23-14(2)24)12-19(16)26-3/h4-8,11-13H,9-10H2,1-3H3,(H,22,25)(H,23,24)/t13-/m1/s1
InChIKeyFSMFSLMFEYEYFU-CYBMUJFWSA-N
MW374.87 g/mol
LogP4.06
Rot. Bonds7

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

4-acetamido-5-chloro-2-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide (PubChem CID 7356959) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 4-acetamido-5-chloro-2-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide.

Molecular Properties

Compound Name4-acetamido-5-chloro-2-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
PubChem CID7356959
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name4-acetamido-5-chloro-2-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
SMILESCOc1cc(NC(C)=O)c(Cl)cc1C(=O)N[C@H](C)CCc1ccccc1
InChIInChI=1S/C20H23ClN2O3/c1-13(9-10-15-7-5-4-6-8-15)22-20(25)16-11-17(21)18(23-14(2)24)12-19(16)26-3/h4-8,11-13H,9-10H2,1-3H3,(H,22,25)(H,23,24)/t13-/m1/s1
InChIKeyFSMFSLMFEYEYFU-CYBMUJFWSA-N
XLogP4.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-5-chloro-2-methoxy-N-[(2R)-pentan-2-yl]benzamide
CID 7379277
3-methoxy-N-[(2S)-4-phenylbutan-2-yl]naphthalene-2-carboxamide
CID 26290914
4-acetamido-5-chloro-N-(2-ethylphenyl)-2-methoxybenzamide
CID 17257106
4-acetamido-5-chloro-2-methoxy-N-(2-methylphenyl)benzamide
CID 17257138
methyl 2-[(4-acetamido-5-chloro-2-methoxybenzoyl)amino]benzoate
CID 2988921
N-[4-methoxy-3-[[(2S)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 52505927
N-[4-methoxy-3-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 52505928
2-chloro-4,5-difluoro-N-(4-phenylbutan-2-yl)benzamide
CID 3527786
4-acetamido-5-chloro-N-(2,3-dichlorophenyl)-2-methoxybenzamide
CID 17257142
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 51904194
4-amino-5-chloro-2-methoxy-N-(1-phenylmethoxypropan-2-yl)benzamide
CID 119804080
4-acetamido-N-[(3S,5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-3-yl]-5-chloro-2-methoxybenzamide
CID 11729708

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-5-chloro-2-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide?
The IUPAC name of 4-acetamido-5-chloro-2-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide (CID 7356959) is 4-acetamido-5-chloro-2-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide.
What is the SMILES notation for 4-acetamido-5-chloro-2-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide?
The canonical SMILES for 4-acetamido-5-chloro-2-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide is COc1cc(NC(C)=O)c(Cl)cc1C(=O)N[C@H](C)CCc1ccccc1.
What is the InChIKey of 4-acetamido-5-chloro-2-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide?
The InChIKey is FSMFSLMFEYEYFU-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-13(9-10-15-7-5-4-6-8-15)22-20(25)16-11-17(21)18(23-14(2)24)12-19(16)26-3/h4-8,11-13H,9-10H2,1-3H3,(H,22,25)(H,23,24)/t13-/m1/s1.
What are the key properties of 4-acetamido-5-chloro-2-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide?
4-acetamido-5-chloro-2-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide has a molecular weight of 374.87 g/mol, XLogP of 4.06, 7 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)-4-phenylbutan-2-yl]benzamide is sourced from PubChem (CID 7356959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).