N-[4-(aminomethyl)phenyl]-3-chloro-N-methylbenzamide

C15H15ClN2O — CID 28755656

IUPACN-[4-(aminomethyl)phenyl]-3-chloro-N-methylbenzamide
SMILESCN(C(=O)c1cccc(Cl)c1)c1ccc(CN)cc1
InChIInChI=1S/C15H15ClN2O/c1-18(14-7-5-11(10-17)6-8-14)15(19)12-3-2-4-13(16)9-12/h2-9H,10,17H2,1H3
InChIKeyPSGQMGBJQYMJGF-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.08
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-3-chloro-N-methylbenzamide

N-[4-(aminomethyl)phenyl]-3-chloro-N-methylbenzamide (PubChem CID 28755656) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3-chloro-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3-chloro-N-methylbenzamide
PubChem CID28755656
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC NameN-[4-(aminomethyl)phenyl]-3-chloro-N-methylbenzamide
SMILESCN(C(=O)c1cccc(Cl)c1)c1ccc(CN)cc1
InChIInChI=1S/C15H15ClN2O/c1-18(14-7-5-11(10-17)6-8-14)15(19)12-3-2-4-13(16)9-12/h2-9H,10,17H2,1H3
InChIKeyPSGQMGBJQYMJGF-UHFFFAOYSA-N
XLogP3.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-3-chloro-N-methylbenzamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3-chloro-N-methylbenzamide (CID 28755656) is N-[4-(aminomethyl)phenyl]-3-chloro-N-methylbenzamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3-chloro-N-methylbenzamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3-chloro-N-methylbenzamide is CN(C(=O)c1cccc(Cl)c1)c1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3-chloro-N-methylbenzamide?
The InChIKey is PSGQMGBJQYMJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-18(14-7-5-11(10-17)6-8-14)15(19)12-3-2-4-13(16)9-12/h2-9H,10,17H2,1H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-3-chloro-N-methylbenzamide?
N-[4-(aminomethyl)phenyl]-3-chloro-N-methylbenzamide has a molecular weight of 274.75 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-3-chloro-N-methylbenzamide is sourced from PubChem (CID 28755656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).