N-[(2-bromophenyl)methyl]-N-cyclopropylcarbamoyl chloride

C11H11BrClNO — CID 172520075

IUPACN-[(2-bromophenyl)methyl]-N-cyclopropylcarbamoyl chloride
SMILESO=C(Cl)N(Cc1ccccc1Br)C1CC1
InChIInChI=1S/C11H11BrClNO/c12-10-4-2-1-3-8(10)7-14(11(13)15)9-5-6-9/h1-4,9H,5-7H2
InChIKeyQQNREOGCPRJOCE-UHFFFAOYSA-N
MW288.57 g/mol
LogP3.77
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-N-cyclopropylcarbamoyl chloride

N-[(2-bromophenyl)methyl]-N-cyclopropylcarbamoyl chloride (PubChem CID 172520075) has the molecular formula C11H11BrClNO and a molecular weight of 288.57 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-cyclopropylcarbamoyl chloride.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-cyclopropylcarbamoyl chloride
PubChem CID172520075
Molecular FormulaC11H11BrClNO
Molecular Weight288.57 g/mol
Exact Mass286.97
IUPAC NameN-[(2-bromophenyl)methyl]-N-cyclopropylcarbamoyl chloride
SMILESO=C(Cl)N(Cc1ccccc1Br)C1CC1
InChIInChI=1S/C11H11BrClNO/c12-10-4-2-1-3-8(10)7-14(11(13)15)9-5-6-9/h1-4,9H,5-7H2
InChIKeyQQNREOGCPRJOCE-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.57
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-bromophenyl)methyl]-2-chloro-N-cyclopropylacetamide
CID 60756148
4-[(2-bromophenyl)methyl-cyclopropylamino]-4-oxobutanoic acid
CID 54875215
N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-hydroxybutanamide
CID 79201119
N-[(2-bromophenyl)methyl]-6-chloro-N-cyclopropylpyridine-3-carboxamide
CID 60738184
4-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylbenzamide
CID 60938975
2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 54870992
3-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 64684688
(3R)-N-[(2-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide
CID 81128811
N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide
CID 107067691
N-[(2-bromophenyl)methyl]-4-chloro-N-cyclopropylpyridine-2-carboxamide
CID 60737654
(2S)-2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylpentanamide
CID 93370556
3-[[(2-bromophenyl)methyl-cyclopentylcarbamoyl]amino]propanoic acid
CID 122018494

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-cyclopropylcarbamoyl chloride?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-cyclopropylcarbamoyl chloride (CID 172520075) is N-[(2-bromophenyl)methyl]-N-cyclopropylcarbamoyl chloride.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-cyclopropylcarbamoyl chloride?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-cyclopropylcarbamoyl chloride is O=C(Cl)N(Cc1ccccc1Br)C1CC1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-cyclopropylcarbamoyl chloride?
The InChIKey is QQNREOGCPRJOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO/c12-10-4-2-1-3-8(10)7-14(11(13)15)9-5-6-9/h1-4,9H,5-7H2.
What are the key properties of N-[(2-bromophenyl)methyl]-N-cyclopropylcarbamoyl chloride?
N-[(2-bromophenyl)methyl]-N-cyclopropylcarbamoyl chloride has a molecular weight of 288.57 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-cyclopropylcarbamoyl chloride is sourced from PubChem (CID 172520075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).