N-(2-chlorophenyl)-2-[2-cyanoethyl(propan-2-yl)amino]acetamide

C14H18ClN3O — CID 54996401

IUPACN-(2-chlorophenyl)-2-[2-cyanoethyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(CCC#N)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H18ClN3O/c1-11(2)18(9-5-8-16)10-14(19)17-13-7-4-3-6-12(13)15/h3-4,6-7,11H,5,9-10H2,1-2H3,(H,17,19)
InChIKeyYCJWIEOVVWXOIQ-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.90
Rot. Bonds6

About N-(2-chlorophenyl)-2-[2-cyanoethyl(propan-2-yl)amino]acetamide

N-(2-chlorophenyl)-2-[2-cyanoethyl(propan-2-yl)amino]acetamide (PubChem CID 54996401) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[2-cyanoethyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[2-cyanoethyl(propan-2-yl)amino]acetamide
PubChem CID54996401
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC NameN-(2-chlorophenyl)-2-[2-cyanoethyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(CCC#N)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H18ClN3O/c1-11(2)18(9-5-8-16)10-14(19)17-13-7-4-3-6-12(13)15/h3-4,6-7,11H,5,9-10H2,1-2H3,(H,17,19)
InChIKeyYCJWIEOVVWXOIQ-UHFFFAOYSA-N
XLogP2.90
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide
CID 54992430
N-(2-chlorophenyl)-2-(3-cyanopropylsulfonyl)acetamide
CID 82531658
N-(2-chlorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide
CID 62021726
N-(2-cyanophenyl)-2-[ethyl(propan-2-yl)amino]acetamide
CID 43265776
N-(2-chlorophenyl)-2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 8843259
N-(2-chlorophenyl)-2-(dibutylamino)acetamide
CID 18870799
3-[[2-(2-bromoanilino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60840353
2-(N-acetyl-2-cyanoanilino)-N-(2-chlorophenyl)acetamide
CID 113180740
N-(2-chloro-3-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 60691996
N-(2-chlorophenyl)-2-[(4-cyanophenyl)methyl-propylamino]acetamide
CID 47056009
N-[2-(2-chloroanilino)-2-oxoethyl]-4-[(2-cyanoacetyl)amino]-N-methylbenzamide
CID 9409794
N-(2-chlorophenyl)-2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9036505

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[2-cyanoethyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[2-cyanoethyl(propan-2-yl)amino]acetamide (CID 54996401) is N-(2-chlorophenyl)-2-[2-cyanoethyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[2-cyanoethyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[2-cyanoethyl(propan-2-yl)amino]acetamide is CC(C)N(CCC#N)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[2-cyanoethyl(propan-2-yl)amino]acetamide?
The InChIKey is YCJWIEOVVWXOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-11(2)18(9-5-8-16)10-14(19)17-13-7-4-3-6-12(13)15/h3-4,6-7,11H,5,9-10H2,1-2H3,(H,17,19).
What are the key properties of N-(2-chlorophenyl)-2-[2-cyanoethyl(propan-2-yl)amino]acetamide?
N-(2-chlorophenyl)-2-[2-cyanoethyl(propan-2-yl)amino]acetamide has a molecular weight of 279.77 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[2-cyanoethyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 54996401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).