N-[2-(aminomethyl)-5-chlorophenyl]prop-2-ynamide

C10H9ClN2O — CID 82507722

IUPACN-[2-(aminomethyl)-5-chlorophenyl]prop-2-ynamide
SMILESC#CC(=O)Nc1cc(Cl)ccc1CN
InChIInChI=1S/C10H9ClN2O/c1-2-10(14)13-9-5-8(11)4-3-7(9)6-12/h1,3-5H,6,12H2,(H,13,14)
InChIKeyDEKPXWALQLUKEQ-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.37
Rot. Bonds2

About N-[2-(aminomethyl)-5-chlorophenyl]prop-2-ynamide

N-[2-(aminomethyl)-5-chlorophenyl]prop-2-ynamide (PubChem CID 82507722) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is N-[2-(aminomethyl)-5-chlorophenyl]prop-2-ynamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-5-chlorophenyl]prop-2-ynamide
PubChem CID82507722
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC NameN-[2-(aminomethyl)-5-chlorophenyl]prop-2-ynamide
SMILESC#CC(=O)Nc1cc(Cl)ccc1CN
InChIInChI=1S/C10H9ClN2O/c1-2-10(14)13-9-5-8(11)4-3-7(9)6-12/h1,3-5H,6,12H2,(H,13,14)
InChIKeyDEKPXWALQLUKEQ-UHFFFAOYSA-N
XLogP1.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(aminomethyl)-3-hydroxyphenyl]prop-2-ynamide
CID 82504643
1-[2-(aminomethyl)phenyl]-3-(2,5-dichlorophenyl)urea
CID 64895840
1-[2-(aminomethyl)-5-chlorophenyl]-3-(5-oxo-2H-furan-3-yl)urea
CID 150939947
N-[2-(aminomethyl)-4-chlorophenyl]propanamide
CID 66877518
2-(aminomethyl)-N-(5-chloro-2-hydroxyphenyl)benzamide
CID 82546409
1-[2-(aminomethyl)phenyl]-3-(3-chlorophenyl)urea
CID 64896037
N-[2-(aminomethyl)phenyl]-2-(4-chlorophenyl)acetamide
CID 64894278
6-amino-N-(2,5-dichlorophenyl)hexanamide
CID 24694210
2-[2-(aminomethyl)-4-chlorophenoxy]-N-prop-2-ynylacetamide
CID 60879263
2,4-bis[2-(aminomethyl)-5-chlorophenyl]pentan-3-one
CID 151068715
N-[2-(aminomethyl)phenyl]-4-chloro-2-methoxybenzamide
CID 64882519
prop-2-ynyl N-(2,4-dichlorophenyl)carbamate
CID 534035

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-5-chlorophenyl]prop-2-ynamide?
The IUPAC name of N-[2-(aminomethyl)-5-chlorophenyl]prop-2-ynamide (CID 82507722) is N-[2-(aminomethyl)-5-chlorophenyl]prop-2-ynamide.
What is the SMILES notation for N-[2-(aminomethyl)-5-chlorophenyl]prop-2-ynamide?
The canonical SMILES for N-[2-(aminomethyl)-5-chlorophenyl]prop-2-ynamide is C#CC(=O)Nc1cc(Cl)ccc1CN.
What is the InChIKey of N-[2-(aminomethyl)-5-chlorophenyl]prop-2-ynamide?
The InChIKey is DEKPXWALQLUKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-2-10(14)13-9-5-8(11)4-3-7(9)6-12/h1,3-5H,6,12H2,(H,13,14).
What are the key properties of N-[2-(aminomethyl)-5-chlorophenyl]prop-2-ynamide?
N-[2-(aminomethyl)-5-chlorophenyl]prop-2-ynamide has a molecular weight of 208.65 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-5-chlorophenyl]prop-2-ynamide is sourced from PubChem (CID 82507722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).