N-(5-chloro-2-cyanophenyl)-2-[cyclopropylmethyl(1-phenylethyl)amino]acetamide

C21H22ClN3O — CID 86876459

IUPACN-(5-chloro-2-cyanophenyl)-2-[cyclopropylmethyl(1-phenylethyl)amino]acetamide
SMILESCC(c1ccccc1)N(CC(=O)Nc1cc(Cl)ccc1C#N)CC1CC1
InChIInChI=1S/C21H22ClN3O/c1-15(17-5-3-2-4-6-17)25(13-16-7-8-16)14-21(26)24-20-11-19(22)10-9-18(20)12-23/h2-6,9-11,15-16H,7-8,13-14H2,1H3,(H,24,26)
InChIKeyAYHIZQJXIYFREV-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.62
Rot. Bonds7

About N-(5-chloro-2-cyanophenyl)-2-[cyclopropylmethyl(1-phenylethyl)amino]acetamide

N-(5-chloro-2-cyanophenyl)-2-[cyclopropylmethyl(1-phenylethyl)amino]acetamide (PubChem CID 86876459) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2-[cyclopropylmethyl(1-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2-[cyclopropylmethyl(1-phenylethyl)amino]acetamide
PubChem CID86876459
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC NameN-(5-chloro-2-cyanophenyl)-2-[cyclopropylmethyl(1-phenylethyl)amino]acetamide
SMILESCC(c1ccccc1)N(CC(=O)Nc1cc(Cl)ccc1C#N)CC1CC1
InChIInChI=1S/C21H22ClN3O/c1-15(17-5-3-2-4-6-17)25(13-16-7-8-16)14-21(26)24-20-11-19(22)10-9-18(20)12-23/h2-6,9-11,15-16H,7-8,13-14H2,1H3,(H,24,26)
InChIKeyAYHIZQJXIYFREV-UHFFFAOYSA-N
XLogP4.62
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-cyanophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 2684093
N-(5-chloro-2-cyanophenyl)-2-[cyclohexylmethyl(cyclopropyl)amino]acetamide
CID 60513773
N-(5-chloro-2-cyanophenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131592
2-[1-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid
CID 65055047
2-[cyclopropylmethyl(1-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 86876464
N-(5-chloro-2-cyanophenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028532
N-(5-chloro-2-cyanophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 8977667
N-(3-chloro-4-cyanophenyl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 18191756
N-(5-chloro-2-cyanophenyl)-2-(cyclopropylamino)acetamide
CID 54917775
N-(5-chloro-2-cyanophenyl)-2-(2-propan-2-yloxyanilino)acetamide
CID 87029057
N-(2-cyanophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63955371
N-(5-chloro-2-cyanophenyl)-2-(2-methylphenyl)acetamide
CID 60645682

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[cyclopropylmethyl(1-phenylethyl)amino]acetamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[cyclopropylmethyl(1-phenylethyl)amino]acetamide (CID 86876459) is N-(5-chloro-2-cyanophenyl)-2-[cyclopropylmethyl(1-phenylethyl)amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2-[cyclopropylmethyl(1-phenylethyl)amino]acetamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2-[cyclopropylmethyl(1-phenylethyl)amino]acetamide is CC(c1ccccc1)N(CC(=O)Nc1cc(Cl)ccc1C#N)CC1CC1.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2-[cyclopropylmethyl(1-phenylethyl)amino]acetamide?
The InChIKey is AYHIZQJXIYFREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c1-15(17-5-3-2-4-6-17)25(13-16-7-8-16)14-21(26)24-20-11-19(22)10-9-18(20)12-23/h2-6,9-11,15-16H,7-8,13-14H2,1H3,(H,24,26).
What are the key properties of N-(5-chloro-2-cyanophenyl)-2-[cyclopropylmethyl(1-phenylethyl)amino]acetamide?
N-(5-chloro-2-cyanophenyl)-2-[cyclopropylmethyl(1-phenylethyl)amino]acetamide has a molecular weight of 367.88 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-2-[cyclopropylmethyl(1-phenylethyl)amino]acetamide is sourced from PubChem (CID 86876459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).