N-(5-chloro-2-cyanophenyl)-2-methyl-2-phenylpropanamide

C17H15ClN2O — CID 60628690

IUPACN-(5-chloro-2-cyanophenyl)-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1
InChIInChI=1S/C17H15ClN2O/c1-17(2,13-6-4-3-5-7-13)16(21)20-15-10-14(18)9-8-12(15)11-19/h3-10H,1-2H3,(H,20,21)
InChIKeyGANRCMLRVUXJRV-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.13
Rot. Bonds3

About N-(5-chloro-2-cyanophenyl)-2-methyl-2-phenylpropanamide

N-(5-chloro-2-cyanophenyl)-2-methyl-2-phenylpropanamide (PubChem CID 60628690) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2-methyl-2-phenylpropanamide
PubChem CID60628690
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC NameN-(5-chloro-2-cyanophenyl)-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1
InChIInChI=1S/C17H15ClN2O/c1-17(2,13-6-4-3-5-7-13)16(21)20-15-10-14(18)9-8-12(15)11-19/h3-10H,1-2H3,(H,20,21)
InChIKeyGANRCMLRVUXJRV-UHFFFAOYSA-N
XLogP4.13
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 64919411
4-amino-N-(5-chloro-2-cyanophenyl)-2,2-dimethylbutanamide
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5-(5-chloro-2-cyanoanilino)-3,3-dimethyl-5-oxopentanoic acid
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N-(2-cyanophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108970103
2-[(5-chloro-2-cyanophenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 64918941
1-(5-chloro-2-cyanophenyl)-3-(2-fluorophenyl)urea
CID 64918546
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2-(5-chloro-2-cyanoanilino)acetic acid
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N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
CID 60628684
2,6-dichloro-N-(5-chloro-2-cyanophenyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2-methyl-2-phenylpropanamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2-methyl-2-phenylpropanamide (CID 60628690) is N-(5-chloro-2-cyanophenyl)-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2-methyl-2-phenylpropanamide is CC(C)(C(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2-methyl-2-phenylpropanamide?
The InChIKey is GANRCMLRVUXJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-17(2,13-6-4-3-5-7-13)16(21)20-15-10-14(18)9-8-12(15)11-19/h3-10H,1-2H3,(H,20,21).
What are the key properties of N-(5-chloro-2-cyanophenyl)-2-methyl-2-phenylpropanamide?
N-(5-chloro-2-cyanophenyl)-2-methyl-2-phenylpropanamide has a molecular weight of 298.77 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 60628690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).