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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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).