N-[2-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]butanamide

C14H19ClN2O3 — CID 111451181

IUPACN-[2-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)NCC(O)c1ccccc1Cl
InChIInChI=1S/C14H19ClN2O3/c1-2-5-13(19)17-9-14(20)16-8-12(18)10-6-3-4-7-11(10)15/h3-4,6-7,12,18H,2,5,8-9H2,1H3,(H,16,20)(H,17,19)
InChIKeyLCGAJBUWWPCJGT-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.41
Rot. Bonds7

About N-[2-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]butanamide

N-[2-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]butanamide (PubChem CID 111451181) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is N-[2-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]butanamide.

Molecular Properties

Compound NameN-[2-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]butanamide
PubChem CID111451181
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC NameN-[2-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)NCC(O)c1ccccc1Cl
InChIInChI=1S/C14H19ClN2O3/c1-2-5-13(19)17-9-14(20)16-8-12(18)10-6-3-4-7-11(10)15/h3-4,6-7,12,18H,2,5,8-9H2,1H3,(H,16,20)(H,17,19)
InChIKeyLCGAJBUWWPCJGT-UHFFFAOYSA-N
XLogP1.41
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-ethylpentanediamide
CID 111450926
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4,4-dimethylpentanamide
CID 111450920
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-4-phenylbutanamide
CID 111450915
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide
CID 34948840
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
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]-2-(4-cyanoanilino)acetamide
CID 111450979
N-[2-(2,6-dichloroanilino)-2-oxoethyl]butanamide
CID 113001397
N'-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-N-propylbutanediamide
CID 71874340
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 111450939

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]butanamide?
The IUPAC name of N-[2-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]butanamide (CID 111451181) is N-[2-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]butanamide.
What is the SMILES notation for N-[2-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]butanamide?
The canonical SMILES for N-[2-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]butanamide is CCCC(=O)NCC(=O)NCC(O)c1ccccc1Cl.
What is the InChIKey of N-[2-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]butanamide?
The InChIKey is LCGAJBUWWPCJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-2-5-13(19)17-9-14(20)16-8-12(18)10-6-3-4-7-11(10)15/h3-4,6-7,12,18H,2,5,8-9H2,1H3,(H,16,20)(H,17,19).
What are the key properties of N-[2-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]butanamide?
N-[2-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]butanamide has a molecular weight of 298.77 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]butanamide is sourced from PubChem (CID 111451181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).