2-(4-acetamido-2-chloroanilino)-N-[(1R)-1-phenylethyl]acetamide

C18H20ClN3O2 — CID 95253523

IUPAC2-(4-acetamido-2-chloroanilino)-N-[(1R)-1-phenylethyl]acetamide
SMILESCC(=O)Nc1ccc(NCC(=O)N[C@H](C)c2ccccc2)c(Cl)c1
InChIInChI=1S/C18H20ClN3O2/c1-12(14-6-4-3-5-7-14)21-18(24)11-20-17-9-8-15(10-16(17)19)22-13(2)23/h3-10,12,20H,11H2,1-2H3,(H,21,24)(H,22,23)/t12-/m1/s1
InChIKeyYNFIWOOHGPIULO-GFCCVEGCSA-N
MW345.83 g/mol
LogP3.59
Rot. Bonds6

About 2-(4-acetamido-2-chloroanilino)-N-[(1R)-1-phenylethyl]acetamide

2-(4-acetamido-2-chloroanilino)-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 95253523) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-(4-acetamido-2-chloroanilino)-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamido-2-chloroanilino)-N-[(1R)-1-phenylethyl]acetamide
PubChem CID95253523
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name2-(4-acetamido-2-chloroanilino)-N-[(1R)-1-phenylethyl]acetamide
SMILESCC(=O)Nc1ccc(NCC(=O)N[C@H](C)c2ccccc2)c(Cl)c1
InChIInChI=1S/C18H20ClN3O2/c1-12(14-6-4-3-5-7-14)21-18(24)11-20-17-9-8-15(10-16(17)19)22-13(2)23/h3-10,12,20H,11H2,1-2H3,(H,21,24)(H,22,23)/t12-/m1/s1
InChIKeyYNFIWOOHGPIULO-GFCCVEGCSA-N
XLogP3.59
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-fluoroanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 9099533
3-[[2-(2,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54810893
2-(4-chloroanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 9098999
2-(2-acetamido-4,5-difluoroanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 95278200
2-anilino-N-(1-phenylethyl)acetamide
CID 54810260
2-(2,6-dichloroanilino)-N-(1-phenylethyl)acetamide
CID 108997357
2-(4-chloro-2,5-dimethoxyanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 9106880
N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 9198212
4-[[2-(3,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54813173
N-[4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]phenyl]propanamide
CID 54835521
2-(4-methylanilino)-N-(1-phenylethyl)acetamide
CID 54814142
2-(2,3-dimethylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 9080783

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamido-2-chloroanilino)-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-(4-acetamido-2-chloroanilino)-N-[(1R)-1-phenylethyl]acetamide (CID 95253523) is 2-(4-acetamido-2-chloroanilino)-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(4-acetamido-2-chloroanilino)-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(4-acetamido-2-chloroanilino)-N-[(1R)-1-phenylethyl]acetamide is CC(=O)Nc1ccc(NCC(=O)N[C@H](C)c2ccccc2)c(Cl)c1.
What is the InChIKey of 2-(4-acetamido-2-chloroanilino)-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is YNFIWOOHGPIULO-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-12(14-6-4-3-5-7-14)21-18(24)11-20-17-9-8-15(10-16(17)19)22-13(2)23/h3-10,12,20H,11H2,1-2H3,(H,21,24)(H,22,23)/t12-/m1/s1.
What are the key properties of 2-(4-acetamido-2-chloroanilino)-N-[(1R)-1-phenylethyl]acetamide?
2-(4-acetamido-2-chloroanilino)-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 345.83 g/mol, XLogP of 3.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamido-2-chloroanilino)-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 95253523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).