N-[(3-chlorophenyl)methyl]-3-(N-formylanilino)-2-hydroxybutanamide

C18H19ClN2O3 — CID 134349858

IUPACN-[(3-chlorophenyl)methyl]-3-(N-formylanilino)-2-hydroxybutanamide
SMILESCC(C(O)C(=O)NCc1cccc(Cl)c1)N(C=O)c1ccccc1
InChIInChI=1S/C18H19ClN2O3/c1-13(21(12-22)16-8-3-2-4-9-16)17(23)18(24)20-11-14-6-5-7-15(19)10-14/h2-10,12-13,17,23H,11H2,1H3,(H,20,24)
InChIKeyNYCFHTVJJDARJI-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.37
Rot. Bonds7

About N-[(3-chlorophenyl)methyl]-3-(N-formylanilino)-2-hydroxybutanamide

N-[(3-chlorophenyl)methyl]-3-(N-formylanilino)-2-hydroxybutanamide (PubChem CID 134349858) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-(N-formylanilino)-2-hydroxybutanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-(N-formylanilino)-2-hydroxybutanamide
PubChem CID134349858
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-[(3-chlorophenyl)methyl]-3-(N-formylanilino)-2-hydroxybutanamide
SMILESCC(C(O)C(=O)NCc1cccc(Cl)c1)N(C=O)c1ccccc1
InChIInChI=1S/C18H19ClN2O3/c1-13(21(12-22)16-8-3-2-4-9-16)17(23)18(24)20-11-14-6-5-7-15(19)10-14/h2-10,12-13,17,23H,11H2,1H3,(H,20,24)
InChIKeyNYCFHTVJJDARJI-UHFFFAOYSA-N
XLogP2.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.37
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

3-[benzyl(formyl)amino]-N-[(3-chlorophenyl)methyl]-2-hydroxybutanamide
CID 134350005
3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea
CID 110301228
N-(cyclopropylmethyl)-3-(N-formylanilino)-2-hydroxybutanamide
CID 134349732
N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutanamide
CID 70795299
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
3-[(3-chlorophenyl)methylcarbamoyl-methylamino]propanoic acid
CID 62532266
4-amino-N-[(3-chlorophenyl)methyl]-2-methylbutanamide
CID 80542146
2-amino-N-[(3-chlorophenyl)methyl]-3-methylpentanamide
CID 43515242
(2R)-N-[(3-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2457939
N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 13232131

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-(N-formylanilino)-2-hydroxybutanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-(N-formylanilino)-2-hydroxybutanamide (CID 134349858) is N-[(3-chlorophenyl)methyl]-3-(N-formylanilino)-2-hydroxybutanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-(N-formylanilino)-2-hydroxybutanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-(N-formylanilino)-2-hydroxybutanamide is CC(C(O)C(=O)NCc1cccc(Cl)c1)N(C=O)c1ccccc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-(N-formylanilino)-2-hydroxybutanamide?
The InChIKey is NYCFHTVJJDARJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-13(21(12-22)16-8-3-2-4-9-16)17(23)18(24)20-11-14-6-5-7-15(19)10-14/h2-10,12-13,17,23H,11H2,1H3,(H,20,24).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-(N-formylanilino)-2-hydroxybutanamide?
N-[(3-chlorophenyl)methyl]-3-(N-formylanilino)-2-hydroxybutanamide has a molecular weight of 346.81 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-(N-formylanilino)-2-hydroxybutanamide is sourced from PubChem (CID 134349858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).