N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(4-cyanoanilino)acetamide

C17H16ClN3O2 — CID 111450979

IUPACN-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(4-cyanoanilino)acetamide
SMILESN#Cc1ccc(NCC(=O)NCC(O)c2ccccc2Cl)cc1
InChIInChI=1S/C17H16ClN3O2/c18-15-4-2-1-3-14(15)16(22)10-21-17(23)11-20-13-7-5-12(9-19)6-8-13/h1-8,16,20,22H,10-11H2,(H,21,23)
InChIKeyAELGEIKZSVBTSQ-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.47
Rot. Bonds6

About N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(4-cyanoanilino)acetamide

N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(4-cyanoanilino)acetamide (PubChem CID 111450979) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(4-cyanoanilino)acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(4-cyanoanilino)acetamide
PubChem CID111450979
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC NameN-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(4-cyanoanilino)acetamide
SMILESN#Cc1ccc(NCC(=O)NCC(O)c2ccccc2Cl)cc1
InChIInChI=1S/C17H16ClN3O2/c18-15-4-2-1-3-14(15)16(22)10-21-17(23)11-20-13-7-5-12(9-19)6-8-13/h1-8,16,20,22H,10-11H2,(H,21,23)
InChIKeyAELGEIKZSVBTSQ-UHFFFAOYSA-N
XLogP2.47
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[(4-cyanophenyl)methyl]urea
CID 111450482
3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]benzonitrile
CID 60896465
N-[2-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]butanamide
CID 111451181
2-(4-cyanoanilino)-N-(3-phenylpropyl)acetamide
CID 31667205
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4,4-dimethylpentanamide
CID 111450920
1-(4-cyanophenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 51724842
4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3-fluorobenzonitrile
CID 79002808
2-(4-cyanoanilino)-N-(3-methylbutyl)acetamide
CID 47117865
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(cyclopropylmethoxy)acetamide
CID 111450934
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-4-phenylbutanamide
CID 111450915
N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-ethylpentanediamide
CID 111450926
2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994738

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(4-cyanoanilino)acetamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(4-cyanoanilino)acetamide (CID 111450979) is N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(4-cyanoanilino)acetamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(4-cyanoanilino)acetamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(4-cyanoanilino)acetamide is N#Cc1ccc(NCC(=O)NCC(O)c2ccccc2Cl)cc1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(4-cyanoanilino)acetamide?
The InChIKey is AELGEIKZSVBTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c18-15-4-2-1-3-14(15)16(22)10-21-17(23)11-20-13-7-5-12(9-19)6-8-13/h1-8,16,20,22H,10-11H2,(H,21,23).
What are the key properties of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(4-cyanoanilino)acetamide?
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(4-cyanoanilino)acetamide has a molecular weight of 329.79 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(4-cyanoanilino)acetamide is sourced from PubChem (CID 111450979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).