N-[(2-bromophenyl)methyl]-2-chloro-N-cyclopropylacetamide

C12H13BrClNO — CID 60756148

IUPACN-[(2-bromophenyl)methyl]-2-chloro-N-cyclopropylacetamide
SMILESO=C(CCl)N(Cc1ccccc1Br)C1CC1
InChIInChI=1S/C12H13BrClNO/c13-11-4-2-1-3-9(11)8-15(10-5-6-10)12(16)7-14/h1-4,10H,5-8H2
InChIKeyPRULXCUVKNPSER-UHFFFAOYSA-N
MW302.60 g/mol
LogP3.18
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-2-chloro-N-cyclopropylacetamide

N-[(2-bromophenyl)methyl]-2-chloro-N-cyclopropylacetamide (PubChem CID 60756148) has the molecular formula C12H13BrClNO and a molecular weight of 302.60 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-chloro-N-cyclopropylacetamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-chloro-N-cyclopropylacetamide
PubChem CID60756148
Molecular FormulaC12H13BrClNO
Molecular Weight302.60 g/mol
Exact Mass300.99
IUPAC NameN-[(2-bromophenyl)methyl]-2-chloro-N-cyclopropylacetamide
SMILESO=C(CCl)N(Cc1ccccc1Br)C1CC1
InChIInChI=1S/C12H13BrClNO/c13-11-4-2-1-3-9(11)8-15(10-5-6-10)12(16)7-14/h1-4,10H,5-8H2
InChIKeyPRULXCUVKNPSER-UHFFFAOYSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.60
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromophenyl)methyl]-N-cyclopropylcarbamoyl chloride
CID 172520075
4-[(2-bromophenyl)methyl-cyclopropylamino]-4-oxobutanoic acid
CID 54875215
N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-hydroxybutanamide
CID 79201119
3-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 64684688
5-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-methylpentanamide
CID 82011057
4-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylbenzamide
CID 60938975
2-chloro-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide
CID 66568539
2-(3-amino-1,2,4-triazol-1-yl)-N-[(2-bromophenyl)methyl]-N-cyclopropylacetamide
CID 61106358
(2S)-2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylpentanamide
CID 93370556
2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 54870992
2-[[2-(2-bromophenyl)acetyl]-cyclopropylamino]acetic acid
CID 119194508
2-chloro-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]acetamide
CID 66568175

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-chloro-N-cyclopropylacetamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-chloro-N-cyclopropylacetamide (CID 60756148) is N-[(2-bromophenyl)methyl]-2-chloro-N-cyclopropylacetamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-chloro-N-cyclopropylacetamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-chloro-N-cyclopropylacetamide is O=C(CCl)N(Cc1ccccc1Br)C1CC1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-chloro-N-cyclopropylacetamide?
The InChIKey is PRULXCUVKNPSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO/c13-11-4-2-1-3-9(11)8-15(10-5-6-10)12(16)7-14/h1-4,10H,5-8H2.
What are the key properties of N-[(2-bromophenyl)methyl]-2-chloro-N-cyclopropylacetamide?
N-[(2-bromophenyl)methyl]-2-chloro-N-cyclopropylacetamide has a molecular weight of 302.60 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-chloro-N-cyclopropylacetamide is sourced from PubChem (CID 60756148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).