N-[2-(aminomethyl)phenyl]carbamoyl chloride

C8H9ClN2O — CID 142823786

IUPACN-[2-(aminomethyl)phenyl]carbamoyl chloride
SMILESNCc1ccccc1NC(=O)Cl
InChIInChI=1S/C8H9ClN2O/c9-8(12)11-7-4-2-1-3-6(7)5-10/h1-4H,5,10H2,(H,11,12)
InChIKeyMBOJXXDPSZZTOK-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.92
Rot. Bonds2

About N-[2-(aminomethyl)phenyl]carbamoyl chloride

N-[2-(aminomethyl)phenyl]carbamoyl chloride (PubChem CID 142823786) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]carbamoyl chloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]carbamoyl chloride
PubChem CID142823786
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC NameN-[2-(aminomethyl)phenyl]carbamoyl chloride
SMILESNCc1ccccc1NC(=O)Cl
InChIInChI=1S/C8H9ClN2O/c9-8(12)11-7-4-2-1-3-6(7)5-10/h1-4H,5,10H2,(H,11,12)
InChIKeyMBOJXXDPSZZTOK-UHFFFAOYSA-N
XLogP1.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-[2-(aminomethyl)phenyl]pyridine-2-carboxamide
CID 16773462
N-[2-(aminomethyl)phenyl]-2-(4-chlorophenyl)acetamide
CID 64894278
N-[2-(aminomethyl)phenyl]-2,2-dimethylbutanamide
CID 63756106
N-[2-(aminomethyl)phenyl]-2-[ethyl(methyl)amino]acetamide
CID 43263109
1-[2-(aminomethyl)phenyl]-3-(2,5-dichlorophenyl)urea
CID 64895840
N-[2-(aminomethyl)phenyl]-2-iodobenzamide
CID 64882136
N-[2-(aminomethyl)phenyl]thiadiazole-4-carboxamide
CID 65216285
1-[2-(aminomethyl)phenyl]-3-(3-chlorophenyl)urea
CID 64896037
N-[2-(aminomethyl)phenyl]piperidine-4-carboxamide
CID 110482330
N-[2-(aminomethyl)phenyl]-2,3-dichlorobenzamide
CID 64882330
N-[2-(aminomethyl)phenyl]-3,5-dihydroxybenzamide
CID 107705031
N-[2-(aminomethyl)phenyl]-2-[methyl(propyl)amino]acetamide
CID 43270948

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]carbamoyl chloride?
The IUPAC name of N-[2-(aminomethyl)phenyl]carbamoyl chloride (CID 142823786) is N-[2-(aminomethyl)phenyl]carbamoyl chloride.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]carbamoyl chloride?
The canonical SMILES for N-[2-(aminomethyl)phenyl]carbamoyl chloride is NCc1ccccc1NC(=O)Cl.
What is the InChIKey of N-[2-(aminomethyl)phenyl]carbamoyl chloride?
The InChIKey is MBOJXXDPSZZTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c9-8(12)11-7-4-2-1-3-6(7)5-10/h1-4H,5,10H2,(H,11,12).
What are the key properties of N-[2-(aminomethyl)phenyl]carbamoyl chloride?
N-[2-(aminomethyl)phenyl]carbamoyl chloride has a molecular weight of 184.63 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]carbamoyl chloride is sourced from PubChem (CID 142823786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).