N-(chloromethyl)-N-(3-chlorophenyl)carbamoyl chloride

C8H6Cl3NO — CID 21314741

IUPACN-(chloromethyl)-N-(3-chlorophenyl)carbamoyl chloride
SMILESO=C(Cl)N(CCl)c1cccc(Cl)c1
InChIInChI=1S/C8H6Cl3NO/c9-5-12(8(11)13)7-3-1-2-6(10)4-7/h1-4H,5H2
InChIKeyAXPMKKGXYIYYOJ-UHFFFAOYSA-N
MW238.50 g/mol
LogP3.70
Rot. Bonds2

About N-(chloromethyl)-N-(3-chlorophenyl)carbamoyl chloride

N-(chloromethyl)-N-(3-chlorophenyl)carbamoyl chloride (PubChem CID 21314741) has the molecular formula C8H6Cl3NO and a molecular weight of 238.50 g/mol. Its IUPAC name is N-(chloromethyl)-N-(3-chlorophenyl)carbamoyl chloride.

Molecular Properties

Compound NameN-(chloromethyl)-N-(3-chlorophenyl)carbamoyl chloride
PubChem CID21314741
Molecular FormulaC8H6Cl3NO
Molecular Weight238.50 g/mol
Exact Mass236.95
IUPAC NameN-(chloromethyl)-N-(3-chlorophenyl)carbamoyl chloride
SMILESO=C(Cl)N(CCl)c1cccc(Cl)c1
InChIInChI=1S/C8H6Cl3NO/c9-5-12(8(11)13)7-3-1-2-6(10)4-7/h1-4H,5H2
InChIKeyAXPMKKGXYIYYOJ-UHFFFAOYSA-N
XLogP3.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.50
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

chloromethyl-(3-chlorophenyl)carbamothioic S-acid
CID 163836176
S-ethyl N-(chloromethyl)-N-(3-chlorophenyl)carbamothioate
CID 154155907
4-chlorobut-2-enyl-(3-chlorophenyl)carbamic acid
CID 70519545
N-(3-chlorophenyl)-N-propylacetamide
CID 174491562
3-bromopropyl-(3-chlorophenyl)carbamic acid
CID 57372411
2-(3-chloro-N-(2,2,2-trifluoroacetyl)anilino)acetic acid
CID 54897844
N-(3-bromo-2-oxopropyl)-N-(3-chlorophenyl)acetamide
CID 104700865
2-chloro-N-(3-chlorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 39384213
2-(N-(3-amino-2,2,3-trimethylbutanoyl)-3-chloroanilino)acetic acid
CID 65269873
2-(3-chloro-N-(2-phenylacetyl)anilino)acetic acid
CID 28765730
N-(3-chlorophenyl)-N-hydroxyacetamide
CID 13158205
N-(chloromethyl)-N-(2-chlorophenyl)carbamoyl chloride
CID 13195554

Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)-N-(3-chlorophenyl)carbamoyl chloride?
The IUPAC name of N-(chloromethyl)-N-(3-chlorophenyl)carbamoyl chloride (CID 21314741) is N-(chloromethyl)-N-(3-chlorophenyl)carbamoyl chloride.
What is the SMILES notation for N-(chloromethyl)-N-(3-chlorophenyl)carbamoyl chloride?
The canonical SMILES for N-(chloromethyl)-N-(3-chlorophenyl)carbamoyl chloride is O=C(Cl)N(CCl)c1cccc(Cl)c1.
What is the InChIKey of N-(chloromethyl)-N-(3-chlorophenyl)carbamoyl chloride?
The InChIKey is AXPMKKGXYIYYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl3NO/c9-5-12(8(11)13)7-3-1-2-6(10)4-7/h1-4H,5H2.
What are the key properties of N-(chloromethyl)-N-(3-chlorophenyl)carbamoyl chloride?
N-(chloromethyl)-N-(3-chlorophenyl)carbamoyl chloride has a molecular weight of 238.50 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)-N-(3-chlorophenyl)carbamoyl chloride is sourced from PubChem (CID 21314741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).