N-[(2-chlorophenyl)methyl]-N-methyl-3-phenylprop-2-ynamide

C17H14ClNO — CID 71419496

IUPACN-[(2-chlorophenyl)methyl]-N-methyl-3-phenylprop-2-ynamide
SMILESCN(Cc1ccccc1Cl)C(=O)C#Cc1ccccc1
InChIInChI=1S/C17H14ClNO/c1-19(13-15-9-5-6-10-16(15)18)17(20)12-11-14-7-3-2-4-8-14/h2-10H,13H2,1H3
InChIKeyILNIOBIOPDUMNK-UHFFFAOYSA-N
MW283.76 g/mol
LogP3.35
Rot. Bonds2

About N-[(2-chlorophenyl)methyl]-N-methyl-3-phenylprop-2-ynamide

N-[(2-chlorophenyl)methyl]-N-methyl-3-phenylprop-2-ynamide (PubChem CID 71419496) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-methyl-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-methyl-3-phenylprop-2-ynamide
PubChem CID71419496
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC NameN-[(2-chlorophenyl)methyl]-N-methyl-3-phenylprop-2-ynamide
SMILESCN(Cc1ccccc1Cl)C(=O)C#Cc1ccccc1
InChIInChI=1S/C17H14ClNO/c1-19(13-15-9-5-6-10-16(15)18)17(20)12-11-14-7-3-2-4-8-14/h2-10H,13H2,1H3
InChIKeyILNIOBIOPDUMNK-UHFFFAOYSA-N
XLogP3.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromo-5-chlorophenyl)methyl]-N-methyl-3-phenylprop-2-ynamide
CID 135076114
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane
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2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
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N-[(2-chlorophenyl)methyl]-N,2-dimethyl-2-phenylpropanamide
CID 112790320
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CID 61415066
2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
CID 115462653
N-[(2-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide
CID 78768741
N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 60686804
2-anilino-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 60683247
N-[(2-chlorophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
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CID 106501484

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-3-phenylprop-2-ynamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-3-phenylprop-2-ynamide (CID 71419496) is N-[(2-chlorophenyl)methyl]-N-methyl-3-phenylprop-2-ynamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-methyl-3-phenylprop-2-ynamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-methyl-3-phenylprop-2-ynamide is CN(Cc1ccccc1Cl)C(=O)C#Cc1ccccc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-methyl-3-phenylprop-2-ynamide?
The InChIKey is ILNIOBIOPDUMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c1-19(13-15-9-5-6-10-16(15)18)17(20)12-11-14-7-3-2-4-8-14/h2-10H,13H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-methyl-3-phenylprop-2-ynamide?
N-[(2-chlorophenyl)methyl]-N-methyl-3-phenylprop-2-ynamide has a molecular weight of 283.76 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-methyl-3-phenylprop-2-ynamide is sourced from PubChem (CID 71419496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).