N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-ethylpentanediamide

C15H21ClN2O3 — CID 111450926

IUPACN'-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-ethylpentanediamide
SMILESCCNC(=O)CCCC(=O)NCC(O)c1ccccc1Cl
InChIInChI=1S/C15H21ClN2O3/c1-2-17-14(20)8-5-9-15(21)18-10-13(19)11-6-3-4-7-12(11)16/h3-4,6-7,13,19H,2,5,8-10H2,1H3,(H,17,20)(H,18,21)
InChIKeyKNBPPBQWUDMFGA-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.80
Rot. Bonds8

About N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-ethylpentanediamide

N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-ethylpentanediamide (PubChem CID 111450926) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-ethylpentanediamide.

Molecular Properties

Compound NameN'-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-ethylpentanediamide
PubChem CID111450926
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC NameN'-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-ethylpentanediamide
SMILESCCNC(=O)CCCC(=O)NCC(O)c1ccccc1Cl
InChIInChI=1S/C15H21ClN2O3/c1-2-17-14(20)8-5-9-15(21)18-10-13(19)11-6-3-4-7-12(11)16/h3-4,6-7,13,19H,2,5,8-10H2,1H3,(H,17,20)(H,18,21)
InChIKeyKNBPPBQWUDMFGA-UHFFFAOYSA-N
XLogP1.80
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]butanamide
CID 111451181
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4,4-dimethylpentanamide
CID 111450920
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-4-phenylbutanamide
CID 111450915
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 111451146
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)propanamide
CID 111451187
N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]pentanediamide
CID 111102313
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(cyclopropylmethoxy)acetamide
CID 111450934
3-(2-chlorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]propanamide
CID 111119972
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 111450825
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 111450939
carbamoyl N-[2-(2-chlorophenyl)-2-hydroxyethyl]carbamate
CID 23292408
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide
CID 60505315

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-ethylpentanediamide?
The IUPAC name of N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-ethylpentanediamide (CID 111450926) is N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-ethylpentanediamide.
What is the SMILES notation for N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-ethylpentanediamide?
The canonical SMILES for N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-ethylpentanediamide is CCNC(=O)CCCC(=O)NCC(O)c1ccccc1Cl.
What is the InChIKey of N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-ethylpentanediamide?
The InChIKey is KNBPPBQWUDMFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-2-17-14(20)8-5-9-15(21)18-10-13(19)11-6-3-4-7-12(11)16/h3-4,6-7,13,19H,2,5,8-10H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-ethylpentanediamide?
N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-ethylpentanediamide has a molecular weight of 312.80 g/mol, XLogP of 1.80, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-ethylpentanediamide is sourced from PubChem (CID 111450926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).