N-[2-(3-chlorophenyl)-2-methylpropyl]-3-phenylpropanamide

C19H22ClNO — CID 110441534

IUPACN-[2-(3-chlorophenyl)-2-methylpropyl]-3-phenylpropanamide
SMILESCC(C)(CNC(=O)CCc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C19H22ClNO/c1-19(2,16-9-6-10-17(20)13-16)14-21-18(22)12-11-15-7-4-3-5-8-15/h3-10,13H,11-12,14H2,1-2H3,(H,21,22)
InChIKeyGMMSNPGCTOUSJC-UHFFFAOYSA-N
MW315.84 g/mol
LogP4.37
Rot. Bonds6

About N-[2-(3-chlorophenyl)-2-methylpropyl]-3-phenylpropanamide

N-[2-(3-chlorophenyl)-2-methylpropyl]-3-phenylpropanamide (PubChem CID 110441534) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-methylpropyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-methylpropyl]-3-phenylpropanamide
PubChem CID110441534
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC NameN-[2-(3-chlorophenyl)-2-methylpropyl]-3-phenylpropanamide
SMILESCC(C)(CNC(=O)CCc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C19H22ClNO/c1-19(2,16-9-6-10-17(20)13-16)14-21-18(22)12-11-15-7-4-3-5-8-15/h3-10,13H,11-12,14H2,1-2H3,(H,21,22)
InChIKeyGMMSNPGCTOUSJC-UHFFFAOYSA-N
XLogP4.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,2-dimethylpropyl)-3-phenylpropanamide
CID 100801997
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
N-(3-chloro-2,2-dimethylpropyl)-3-phenylpropanamide
CID 115364651
3-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-methoxyethyl)propanamide
CID 51128640
N-(2-methyl-2-pyridin-4-ylpropyl)-3-(4-phenylphenyl)propanamide
CID 166227449
2-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-ethylphenyl)acetamide
CID 60604445
N-[2-(3-chlorophenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119756947
N-[2-(3-chlorophenyl)-2-methylpropyl]-3-methylbenzamide
CID 110441462
N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(3-chlorophenyl)propanamide
CID 99999850
N-[2-(3-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 47085188
3-hydroxy-3-methyl-4-(3-phenylpropanoylamino)butanoic acid
CID 66001727
2-(3-bromophenyl)-N-(2-methyl-2-phenylpropyl)acetamide
CID 113090289

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-methylpropyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-methylpropyl]-3-phenylpropanamide (CID 110441534) is N-[2-(3-chlorophenyl)-2-methylpropyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-methylpropyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-methylpropyl]-3-phenylpropanamide is CC(C)(CNC(=O)CCc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-methylpropyl]-3-phenylpropanamide?
The InChIKey is GMMSNPGCTOUSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO/c1-19(2,16-9-6-10-17(20)13-16)14-21-18(22)12-11-15-7-4-3-5-8-15/h3-10,13H,11-12,14H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(3-chlorophenyl)-2-methylpropyl]-3-phenylpropanamide?
N-[2-(3-chlorophenyl)-2-methylpropyl]-3-phenylpropanamide has a molecular weight of 315.84 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-methylpropyl]-3-phenylpropanamide is sourced from PubChem (CID 110441534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).