N-benzyl-N-methylcarbamoyl chloride;N-methyl-1-phenylmethanamine

C17H21ClN2O — CID 167666361

IUPACN-benzyl-N-methylcarbamoyl chloride;N-methyl-1-phenylmethanamine
SMILESCN(Cc1ccccc1)C(=O)Cl.CNCc1ccccc1
InChIInChI=1S/C9H10ClNO.C8H11N/c1-11(9(10)12)7-8-5-3-2-4-6-8;1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3;2-6,9H,7H2,1H3
InChIKeySRXREDFRUOCJGB-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.88
Rot. Bonds4

About N-benzyl-N-methylcarbamoyl chloride;N-methyl-1-phenylmethanamine

N-benzyl-N-methylcarbamoyl chloride;N-methyl-1-phenylmethanamine (PubChem CID 167666361) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N-benzyl-N-methylcarbamoyl chloride;N-methyl-1-phenylmethanamine.

Molecular Properties

Compound NameN-benzyl-N-methylcarbamoyl chloride;N-methyl-1-phenylmethanamine
PubChem CID167666361
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN-benzyl-N-methylcarbamoyl chloride;N-methyl-1-phenylmethanamine
SMILESCN(Cc1ccccc1)C(=O)Cl.CNCc1ccccc1
InChIInChI=1S/C9H10ClNO.C8H11N/c1-11(9(10)12)7-8-5-3-2-4-6-8;1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3;2-6,9H,7H2,1H3
InChIKeySRXREDFRUOCJGB-UHFFFAOYSA-N
XLogP3.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-N-methylcarbamoyl chloride;N-methyl-1-phenylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-methylacetamide;ethylbenzene;N-methyl-1-phenylmethanamine
CID 160808532
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-benzyl-N-methylethanamine;N-methyl-1-phenylmethanamine
CID 142094869
borane;N-methyl-1-phenylmethanamine
CID 134979061
N-methyl-1-phenylmethanamine;hydrate;hydrochloride
CID 174315758
(E)-but-2-enoic acid;N-methyl-1-phenylmethanamine
CID 171506749
N-benzyl-N,2-dimethyl-2-(methylamino)propanamide
CID 62834859
N-benzyl-N-methyl-4-(methylamino)butanamide
CID 60842037
3-amino-1-benzyl-1-methylurea
CID 43163959
bis(N-methyl-1-phenylmethanamine);(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 173404118
1,3-dibenzyl-1-methylthiourea
CID 3811555
2-[benzyl(methyl)amino]acetyl chloride
CID 39254606

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methylcarbamoyl chloride;N-methyl-1-phenylmethanamine?
The IUPAC name of N-benzyl-N-methylcarbamoyl chloride;N-methyl-1-phenylmethanamine (CID 167666361) is N-benzyl-N-methylcarbamoyl chloride;N-methyl-1-phenylmethanamine.
What is the SMILES notation for N-benzyl-N-methylcarbamoyl chloride;N-methyl-1-phenylmethanamine?
The canonical SMILES for N-benzyl-N-methylcarbamoyl chloride;N-methyl-1-phenylmethanamine is CN(Cc1ccccc1)C(=O)Cl.CNCc1ccccc1.
What is the InChIKey of N-benzyl-N-methylcarbamoyl chloride;N-methyl-1-phenylmethanamine?
The InChIKey is SRXREDFRUOCJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO.C8H11N/c1-11(9(10)12)7-8-5-3-2-4-6-8;1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3;2-6,9H,7H2,1H3.
What are the key properties of N-benzyl-N-methylcarbamoyl chloride;N-methyl-1-phenylmethanamine?
N-benzyl-N-methylcarbamoyl chloride;N-methyl-1-phenylmethanamine has a molecular weight of 304.82 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methylcarbamoyl chloride;N-methyl-1-phenylmethanamine is sourced from PubChem (CID 167666361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).