N-(3-chloro-4-cyanophenyl)-2-[methyl(1-phenylethyl)amino]acetamide

C18H18ClN3O — CID 18191756

IUPACN-(3-chloro-4-cyanophenyl)-2-[methyl(1-phenylethyl)amino]acetamide
SMILESCC(c1ccccc1)N(C)CC(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C18H18ClN3O/c1-13(14-6-4-3-5-7-14)22(2)12-18(23)21-16-9-8-15(11-20)17(19)10-16/h3-10,13H,12H2,1-2H3,(H,21,23)
InChIKeyAIUCYAKPAVLAJJ-UHFFFAOYSA-N
MW327.82 g/mol
LogP3.84
Rot. Bonds5

About N-(3-chloro-4-cyanophenyl)-2-[methyl(1-phenylethyl)amino]acetamide

N-(3-chloro-4-cyanophenyl)-2-[methyl(1-phenylethyl)amino]acetamide (PubChem CID 18191756) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-[methyl(1-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-[methyl(1-phenylethyl)amino]acetamide
PubChem CID18191756
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-[methyl(1-phenylethyl)amino]acetamide
SMILESCC(c1ccccc1)N(C)CC(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C18H18ClN3O/c1-13(14-6-4-3-5-7-14)22(2)12-18(23)21-16-9-8-15(11-20)17(19)10-16/h3-10,13H,12H2,1-2H3,(H,21,23)
InChIKeyAIUCYAKPAVLAJJ-UHFFFAOYSA-N
XLogP3.84
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide
CID 41176479
N-(3-cyanophenyl)-2-[methyl-[(1S)-1-phenylethyl]amino]acetamide
CID 41047179
2-[methyl(1-phenylethyl)amino]-N-phenylacetamide
CID 47109719
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227700
N-(2-cyanophenyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 55351803
N-(3-chloro-4-cyanophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80741182
2-[benzyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide
CID 110881066
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833499
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782364
N-(3-chloro-4-cyanophenyl)-3-methyl-5-oxohexanamide
CID 144704139
2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(3,4-difluorophenyl)acetamide
CID 46573825
(2R)-2-amino-N-(3-chloro-4-cyanophenyl)-2-phenylacetamide
CID 61149344

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[methyl(1-phenylethyl)amino]acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[methyl(1-phenylethyl)amino]acetamide (CID 18191756) is N-(3-chloro-4-cyanophenyl)-2-[methyl(1-phenylethyl)amino]acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-[methyl(1-phenylethyl)amino]acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-[methyl(1-phenylethyl)amino]acetamide is CC(c1ccccc1)N(C)CC(=O)Nc1ccc(C#N)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-[methyl(1-phenylethyl)amino]acetamide?
The InChIKey is AIUCYAKPAVLAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-13(14-6-4-3-5-7-14)22(2)12-18(23)21-16-9-8-15(11-20)17(19)10-16/h3-10,13H,12H2,1-2H3,(H,21,23).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-[methyl(1-phenylethyl)amino]acetamide?
N-(3-chloro-4-cyanophenyl)-2-[methyl(1-phenylethyl)amino]acetamide has a molecular weight of 327.82 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-[methyl(1-phenylethyl)amino]acetamide is sourced from PubChem (CID 18191756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).