N-[(R)-(4-chlorophenyl)-phenylmethyl]-2,2-dimethylpropanamide

C18H20ClNO — CID 134948149

IUPACN-[(R)-(4-chlorophenyl)-phenylmethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO/c1-18(2,3)17(21)20-16(13-7-5-4-6-8-13)14-9-11-15(19)12-10-14/h4-12,16H,1-3H3,(H,20,21)/t16-/m1/s1
InChIKeyUFQQXRMAGQSVAG-MRXNPFEDSA-N
MW301.82 g/mol
LogP4.59
Rot. Bonds3

About N-[(R)-(4-chlorophenyl)-phenylmethyl]-2,2-dimethylpropanamide

N-[(R)-(4-chlorophenyl)-phenylmethyl]-2,2-dimethylpropanamide (PubChem CID 134948149) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is N-[(R)-(4-chlorophenyl)-phenylmethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(R)-(4-chlorophenyl)-phenylmethyl]-2,2-dimethylpropanamide
PubChem CID134948149
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC NameN-[(R)-(4-chlorophenyl)-phenylmethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO/c1-18(2,3)17(21)20-16(13-7-5-4-6-8-13)14-9-11-15(19)12-10-14/h4-12,16H,1-3H3,(H,20,21)/t16-/m1/s1
InChIKeyUFQQXRMAGQSVAG-MRXNPFEDSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
N-benzhydryl-2,2,2-trichloroacetamide
CID 3685786
2-chloro-N-[(S)-(4-chlorophenyl)-phenylmethyl]acetamide
CID 2466705
tert-butyl N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]carbamate
CID 59689146
phenyl N-[(4-chlorophenyl)-phenylmethyl]carbamate
CID 101077414
1-[(4-chlorophenyl)-phenylmethyl]-3-(2-fluorophenyl)urea
CID 45352104
2-amino-N-[(4-chlorophenyl)-phenylmethyl]pentanamide
CID 119271036
2,2-dimethyl-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]propanamide
CID 92500199
2,4-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 99951194
N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,2-dimethylpropanamide
CID 15210216
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylacetamide
CID 81352338
2-[[(4-chlorophenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975095

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-chlorophenyl)-phenylmethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(R)-(4-chlorophenyl)-phenylmethyl]-2,2-dimethylpropanamide (CID 134948149) is N-[(R)-(4-chlorophenyl)-phenylmethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(R)-(4-chlorophenyl)-phenylmethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(R)-(4-chlorophenyl)-phenylmethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(R)-(4-chlorophenyl)-phenylmethyl]-2,2-dimethylpropanamide?
The InChIKey is UFQQXRMAGQSVAG-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-18(2,3)17(21)20-16(13-7-5-4-6-8-13)14-9-11-15(19)12-10-14/h4-12,16H,1-3H3,(H,20,21)/t16-/m1/s1.
What are the key properties of N-[(R)-(4-chlorophenyl)-phenylmethyl]-2,2-dimethylpropanamide?
N-[(R)-(4-chlorophenyl)-phenylmethyl]-2,2-dimethylpropanamide has a molecular weight of 301.82 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-chlorophenyl)-phenylmethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 134948149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).