N-[(3-chlorophenyl)methyl]propanamide

C10H12ClNO — CID 17071125

IUPACN-[(3-chlorophenyl)methyl]propanamide
SMILESCCC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO/c1-2-10(13)12-7-8-4-3-5-9(11)6-8/h3-6H,2,7H2,1H3,(H,12,13)
InChIKeyYSSQDJGNEOEMHI-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.37
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]propanamide

N-[(3-chlorophenyl)methyl]propanamide (PubChem CID 17071125) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]propanamide
PubChem CID17071125
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC NameN-[(3-chlorophenyl)methyl]propanamide
SMILESCCC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO/c1-2-10(13)12-7-8-4-3-5-9(11)6-8/h3-6H,2,7H2,1H3,(H,12,13)
InChIKeyYSSQDJGNEOEMHI-UHFFFAOYSA-N
XLogP2.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 3-[(3-chlorophenyl)methylamino]-3-oxopropanoate
CID 154305485
N-[(3-chlorophenyl)methyl]-2-methoxyacetamide
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3-bromo-N-[(3-chlorophenyl)methyl]propanamide
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4-chloro-N-[(3-chlorophenyl)methyl]butanamide
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N-[(3-chlorophenyl)methyl]-2-ethylbutanamide
CID 17071149
3-amino-N-[(3-chlorophenyl)methyl]butanamide;hydrochloride
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N-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 8900692
3-[(propanoylamino)methyl]benzoic acid
CID 20745849
N-[[3-(aminomethyl)phenyl]methyl]propanamide;vanadium;hydrate
CID 25061500
3-[(propanoylamino)methyl]benzamide
CID 32636451
2-[2-[(3-chlorophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 60708141
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]propanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]propanamide (CID 17071125) is N-[(3-chlorophenyl)methyl]propanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]propanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]propanamide is CCC(=O)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]propanamide?
The InChIKey is YSSQDJGNEOEMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-2-10(13)12-7-8-4-3-5-9(11)6-8/h3-6H,2,7H2,1H3,(H,12,13).
What are the key properties of N-[(3-chlorophenyl)methyl]propanamide?
N-[(3-chlorophenyl)methyl]propanamide has a molecular weight of 197.67 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 17071125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).