N-[4-(carbonochloridoylamino)-2-methylphenyl]carbamoyl chloride

C9H8Cl2N2O2 — CID 102267377

IUPACN-[4-(carbonochloridoylamino)-2-methylphenyl]carbamoyl chloride
SMILESCc1cc(NC(=O)Cl)ccc1NC(=O)Cl
InChIInChI=1S/C9H8Cl2N2O2/c1-5-4-6(12-8(10)14)2-3-7(5)13-9(11)15/h2-4H,1H3,(H,12,14)(H,13,15)
InChIKeyXATDHEORSWKXAO-UHFFFAOYSA-N
MW247.08 g/mol
LogP3.54
Rot. Bonds2

About N-[4-(carbonochloridoylamino)-2-methylphenyl]carbamoyl chloride

N-[4-(carbonochloridoylamino)-2-methylphenyl]carbamoyl chloride (PubChem CID 102267377) has the molecular formula C9H8Cl2N2O2 and a molecular weight of 247.08 g/mol. Its IUPAC name is N-[4-(carbonochloridoylamino)-2-methylphenyl]carbamoyl chloride.

Molecular Properties

Compound NameN-[4-(carbonochloridoylamino)-2-methylphenyl]carbamoyl chloride
PubChem CID102267377
Molecular FormulaC9H8Cl2N2O2
Molecular Weight247.08 g/mol
Exact Mass246.00
IUPAC NameN-[4-(carbonochloridoylamino)-2-methylphenyl]carbamoyl chloride
SMILESCc1cc(NC(=O)Cl)ccc1NC(=O)Cl
InChIInChI=1S/C9H8Cl2N2O2/c1-5-4-6(12-8(10)14)2-3-7(5)13-9(11)15/h2-4H,1H3,(H,12,14)(H,13,15)
InChIKeyXATDHEORSWKXAO-UHFFFAOYSA-N
XLogP3.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 53.54
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'}

Analyze N-[4-(carbonochloridoylamino)-2-methylphenyl]carbamoyl chloride 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

4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
CID 27042156
N'-(4-bromo-2-methylphenyl)-N-(4-bromo-3-methylphenyl)oxamide
CID 108532618
4-(chloromethyl)-N-[4-[[4-(chloromethyl)benzoyl]amino]-3-methylphenyl]benzamide
CID 67251847
N-(4-acetamido-3-methylphenyl)-5-chloropentanamide
CID 43696544
N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide
CID 1365594
tert-butyl N-(4-acetamido-3-methylphenyl)carbamate
CID 65142696
2-(4-chloroanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 26506560
N-(4-acetamido-3-methylphenyl)-3-aminopropanamide
CID 43698824
N-(4-acetamido-3-methylphenyl)-5-methylpyrazine-2-carboxamide
CID 46421778
N-[2-methyl-4-(pentan-3-ylamino)phenyl]acetamide
CID 43672883
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
methyl N-(4-chloro-2-methylphenyl)carbamate
CID 3262623

Frequently Asked Questions

What is the IUPAC name of N-[4-(carbonochloridoylamino)-2-methylphenyl]carbamoyl chloride?
The IUPAC name of N-[4-(carbonochloridoylamino)-2-methylphenyl]carbamoyl chloride (CID 102267377) is N-[4-(carbonochloridoylamino)-2-methylphenyl]carbamoyl chloride.
What is the SMILES notation for N-[4-(carbonochloridoylamino)-2-methylphenyl]carbamoyl chloride?
The canonical SMILES for N-[4-(carbonochloridoylamino)-2-methylphenyl]carbamoyl chloride is Cc1cc(NC(=O)Cl)ccc1NC(=O)Cl.
What is the InChIKey of N-[4-(carbonochloridoylamino)-2-methylphenyl]carbamoyl chloride?
The InChIKey is XATDHEORSWKXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2O2/c1-5-4-6(12-8(10)14)2-3-7(5)13-9(11)15/h2-4H,1H3,(H,12,14)(H,13,15).
What are the key properties of N-[4-(carbonochloridoylamino)-2-methylphenyl]carbamoyl chloride?
N-[4-(carbonochloridoylamino)-2-methylphenyl]carbamoyl chloride has a molecular weight of 247.08 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(carbonochloridoylamino)-2-methylphenyl]carbamoyl chloride is sourced from PubChem (CID 102267377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).