3-[benzyl(formyl)amino]-N-[(3-chlorophenyl)methyl]-2-hydroxybutanamide

C19H21ClN2O3 — CID 134350005

IUPAC3-[benzyl(formyl)amino]-N-[(3-chlorophenyl)methyl]-2-hydroxybutanamide
SMILESCC(C(O)C(=O)NCc1cccc(Cl)c1)N(C=O)Cc1ccccc1
InChIInChI=1S/C19H21ClN2O3/c1-14(22(13-23)12-15-6-3-2-4-7-15)18(24)19(25)21-11-16-8-5-9-17(20)10-16/h2-10,13-14,18,24H,11-12H2,1H3,(H,21,25)
InChIKeyFKDJGOPPTQIABO-UHFFFAOYSA-N
MW360.84 g/mol
LogP2.36
Rot. Bonds8

About 3-[benzyl(formyl)amino]-N-[(3-chlorophenyl)methyl]-2-hydroxybutanamide

3-[benzyl(formyl)amino]-N-[(3-chlorophenyl)methyl]-2-hydroxybutanamide (PubChem CID 134350005) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 3-[benzyl(formyl)amino]-N-[(3-chlorophenyl)methyl]-2-hydroxybutanamide.

Molecular Properties

Compound Name3-[benzyl(formyl)amino]-N-[(3-chlorophenyl)methyl]-2-hydroxybutanamide
PubChem CID134350005
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name3-[benzyl(formyl)amino]-N-[(3-chlorophenyl)methyl]-2-hydroxybutanamide
SMILESCC(C(O)C(=O)NCc1cccc(Cl)c1)N(C=O)Cc1ccccc1
InChIInChI=1S/C19H21ClN2O3/c1-14(22(13-23)12-15-6-3-2-4-7-15)18(24)19(25)21-11-16-8-5-9-17(20)10-16/h2-10,13-14,18,24H,11-12H2,1H3,(H,21,25)
InChIKeyFKDJGOPPTQIABO-UHFFFAOYSA-N
XLogP2.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chlorophenyl)methyl]-3-(N-formylanilino)-2-hydroxybutanamide
CID 134349858
N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutanamide
CID 70795299
3-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]propanamide
CID 118607410
1-benzyl-3-[(3-chlorophenyl)methyl]-1-ethylurea
CID 110301185
N-[(3-chlorophenyl)methyl]-2-ethylbutanamide
CID 17071149
N-[(3-chlorophenyl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide
CID 58124287
N-[(3-chlorophenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51163645
4-amino-N-[(3-chlorophenyl)methyl]-2-methylbutanamide
CID 80542146
(2S,3R)-N-benzyl-3-hydrazinyl-2-hydroxybutanamide
CID 71428235
3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea
CID 110301228
2-amino-N-[(3-chlorophenyl)methyl]-3-methylpentanamide
CID 43515242
(2R)-N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 8891222

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(formyl)amino]-N-[(3-chlorophenyl)methyl]-2-hydroxybutanamide?
The IUPAC name of 3-[benzyl(formyl)amino]-N-[(3-chlorophenyl)methyl]-2-hydroxybutanamide (CID 134350005) is 3-[benzyl(formyl)amino]-N-[(3-chlorophenyl)methyl]-2-hydroxybutanamide.
What is the SMILES notation for 3-[benzyl(formyl)amino]-N-[(3-chlorophenyl)methyl]-2-hydroxybutanamide?
The canonical SMILES for 3-[benzyl(formyl)amino]-N-[(3-chlorophenyl)methyl]-2-hydroxybutanamide is CC(C(O)C(=O)NCc1cccc(Cl)c1)N(C=O)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(formyl)amino]-N-[(3-chlorophenyl)methyl]-2-hydroxybutanamide?
The InChIKey is FKDJGOPPTQIABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-14(22(13-23)12-15-6-3-2-4-7-15)18(24)19(25)21-11-16-8-5-9-17(20)10-16/h2-10,13-14,18,24H,11-12H2,1H3,(H,21,25).
What are the key properties of 3-[benzyl(formyl)amino]-N-[(3-chlorophenyl)methyl]-2-hydroxybutanamide?
3-[benzyl(formyl)amino]-N-[(3-chlorophenyl)methyl]-2-hydroxybutanamide has a molecular weight of 360.84 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(formyl)amino]-N-[(3-chlorophenyl)methyl]-2-hydroxybutanamide is sourced from PubChem (CID 134350005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).