N-[2-(aminomethyl)-4-chlorophenyl]propanamide

C10H13ClN2O — CID 66877518

IUPACN-[2-(aminomethyl)-4-chlorophenyl]propanamide
SMILESCCC(=O)Nc1ccc(Cl)cc1CN
InChIInChI=1S/C10H13ClN2O/c1-2-10(14)13-9-4-3-8(11)5-7(9)6-12/h3-5H,2,6,12H2,1H3,(H,13,14)
InChIKeyZVFRDVIPZAMMFF-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.15
Rot. Bonds3

About N-[2-(aminomethyl)-4-chlorophenyl]propanamide

N-[2-(aminomethyl)-4-chlorophenyl]propanamide (PubChem CID 66877518) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is N-[2-(aminomethyl)-4-chlorophenyl]propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-4-chlorophenyl]propanamide
PubChem CID66877518
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC NameN-[2-(aminomethyl)-4-chlorophenyl]propanamide
SMILESCCC(=O)Nc1ccc(Cl)cc1CN
InChIInChI=1S/C10H13ClN2O/c1-2-10(14)13-9-4-3-8(11)5-7(9)6-12/h3-5H,2,6,12H2,1H3,(H,13,14)
InChIKeyZVFRDVIPZAMMFF-UHFFFAOYSA-N
XLogP2.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dichlorophenyl)propanamide
CID 923083
N-[4-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide
CID 129039598
2-amino-N-(4-chloro-2-ethoxyphenyl)acetamide;hydrochloride
CID 119337558
N-(2-ethyl-4-methylphenyl)propanamide
CID 90352566
N-(3-chloro-4-fluoro-2-methylphenyl)propanamide
CID 159195412
N-[4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanamide
CID 156594464
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]propanamide
CID 50882557
N-[2-(aminomethyl)phenyl]-2-(4-chlorophenyl)acetamide
CID 64894278
3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide
CID 43701444
5-chloro-2-(propanoylamino)-N-(4-sulfamoylphenyl)benzamide
CID 10362460
4-amino-N-[5-chloro-2-(2-methylpropanoylamino)phenyl]butanamide
CID 39194061
1-[2-(aminomethyl)phenyl]-3-(2,5-dichlorophenyl)urea
CID 64895840

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-4-chlorophenyl]propanamide?
The IUPAC name of N-[2-(aminomethyl)-4-chlorophenyl]propanamide (CID 66877518) is N-[2-(aminomethyl)-4-chlorophenyl]propanamide.
What is the SMILES notation for N-[2-(aminomethyl)-4-chlorophenyl]propanamide?
The canonical SMILES for N-[2-(aminomethyl)-4-chlorophenyl]propanamide is CCC(=O)Nc1ccc(Cl)cc1CN.
What is the InChIKey of N-[2-(aminomethyl)-4-chlorophenyl]propanamide?
The InChIKey is ZVFRDVIPZAMMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-2-10(14)13-9-4-3-8(11)5-7(9)6-12/h3-5H,2,6,12H2,1H3,(H,13,14).
What are the key properties of N-[2-(aminomethyl)-4-chlorophenyl]propanamide?
N-[2-(aminomethyl)-4-chlorophenyl]propanamide has a molecular weight of 212.68 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-4-chlorophenyl]propanamide is sourced from PubChem (CID 66877518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).