N-(2-chloro-4-methylphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide

C19H23ClN2O — CID 9131471

IUPACN-(2-chloro-4-methylphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
SMILESCc1ccc(NC(=O)CN[C@@H](c2ccccc2)C(C)C)c(Cl)c1
InChIInChI=1S/C19H23ClN2O/c1-13(2)19(15-7-5-4-6-8-15)21-12-18(23)22-17-10-9-14(3)11-16(17)20/h4-11,13,19,21H,12H2,1-3H3,(H,22,23)/t19-/m1/s1
InChIKeyVFZRFCHSTFEELE-LJQANCHMSA-N
MW330.86 g/mol
LogP4.57
Rot. Bonds6

About N-(2-chloro-4-methylphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide

N-(2-chloro-4-methylphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide (PubChem CID 9131471) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
PubChem CID9131471
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC NameN-(2-chloro-4-methylphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
SMILESCc1ccc(NC(=O)CN[C@@H](c2ccccc2)C(C)C)c(Cl)c1
InChIInChI=1S/C19H23ClN2O/c1-13(2)19(15-7-5-4-6-8-15)21-12-18(23)22-17-10-9-14(3)11-16(17)20/h4-11,13,19,21H,12H2,1-3H3,(H,22,23)/t19-/m1/s1
InChIKeyVFZRFCHSTFEELE-LJQANCHMSA-N
XLogP4.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392747
N-(2,3-dichlorophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131743
2-[[(1S)-2-methyl-1-phenylpropyl]amino]-N-naphthalen-1-ylacetamide
CID 9131594
N-(5-chloro-2-cyanophenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131592
N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131635
N-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131839
N-(3-acetamidophenyl)-2-[(2-methyl-1-phenylpropyl)amino]acetamide
CID 86909136
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-fluorophenyl)acetamide
CID 16598681
N-(4-acetamidophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131833
2-(benzhydrylamino)-N-(2-chloro-4-fluorophenyl)acetamide
CID 2441188
2-[[(1S)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-iodophenyl)acetamide
CID 41378344
N-(2,5-dimethoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131563

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide (CID 9131471) is N-(2-chloro-4-methylphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide is Cc1ccc(NC(=O)CN[C@@H](c2ccccc2)C(C)C)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide?
The InChIKey is VFZRFCHSTFEELE-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-13(2)19(15-7-5-4-6-8-15)21-12-18(23)22-17-10-9-14(3)11-16(17)20/h4-11,13,19,21H,12H2,1-3H3,(H,22,23)/t19-/m1/s1.
What are the key properties of N-(2-chloro-4-methylphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide?
N-(2-chloro-4-methylphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide has a molecular weight of 330.86 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide is sourced from PubChem (CID 9131471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).