4-(bromomethyl)-N-[1-(3-chlorophenyl)propan-2-yl]benzamide

C17H17BrClNO — CID 102851122

IUPAC4-(bromomethyl)-N-[1-(3-chlorophenyl)propan-2-yl]benzamide
SMILESCC(Cc1cccc(Cl)c1)NC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C17H17BrClNO/c1-12(9-14-3-2-4-16(19)10-14)20-17(21)15-7-5-13(11-18)6-8-15/h2-8,10,12H,9,11H2,1H3,(H,20,21)
InChIKeyUMKQOBFDYKDOCR-UHFFFAOYSA-N
MW366.69 g/mol
LogP4.60
Rot. Bonds5

About 4-(bromomethyl)-N-[1-(3-chlorophenyl)propan-2-yl]benzamide

4-(bromomethyl)-N-[1-(3-chlorophenyl)propan-2-yl]benzamide (PubChem CID 102851122) has the molecular formula C17H17BrClNO and a molecular weight of 366.69 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[1-(3-chlorophenyl)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[1-(3-chlorophenyl)propan-2-yl]benzamide
PubChem CID102851122
Molecular FormulaC17H17BrClNO
Molecular Weight366.69 g/mol
Exact Mass365.02
IUPAC Name4-(bromomethyl)-N-[1-(3-chlorophenyl)propan-2-yl]benzamide
SMILESCC(Cc1cccc(Cl)c1)NC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C17H17BrClNO/c1-12(9-14-3-2-4-16(19)10-14)20-17(21)15-7-5-13(11-18)6-8-15/h2-8,10,12H,9,11H2,1H3,(H,20,21)
InChIKeyUMKQOBFDYKDOCR-UHFFFAOYSA-N
XLogP4.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.69
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-1-(3-chlorophenyl)propan-2-yl]-6-methylpyridine-2-carboxamide
CID 51728766
4-(bromomethyl)-N-pentan-2-ylbenzamide
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N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylamino)propanamide
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N-[1-(3-chlorophenyl)propan-2-yl]-2-(propan-2-ylamino)acetamide
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4-(bromomethyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide
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N-(4-bromobutan-2-yl)-3-chlorobenzamide
CID 83179175
4-chloro-N-[1-(3-chlorophenyl)propan-2-yl]pyridine-3-carboxamide
CID 81227390
N-[1-(3-chlorophenyl)propan-2-yl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide
CID 178166100
(E)-4-[1-(3-chlorophenyl)propan-2-ylamino]-4-oxobut-2-enoic acid
CID 54867885
2-amino-N-[1-(3-chlorophenyl)propan-2-yl]butanamide
CID 43705773
2-(tert-butylamino)-N-[1-(3-chlorophenyl)propan-2-yl]acetamide
CID 78972710
4-(bromomethyl)-N-(4-methoxybutan-2-yl)benzamide
CID 102851748

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[1-(3-chlorophenyl)propan-2-yl]benzamide?
The IUPAC name of 4-(bromomethyl)-N-[1-(3-chlorophenyl)propan-2-yl]benzamide (CID 102851122) is 4-(bromomethyl)-N-[1-(3-chlorophenyl)propan-2-yl]benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-[1-(3-chlorophenyl)propan-2-yl]benzamide?
The canonical SMILES for 4-(bromomethyl)-N-[1-(3-chlorophenyl)propan-2-yl]benzamide is CC(Cc1cccc(Cl)c1)NC(=O)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-[1-(3-chlorophenyl)propan-2-yl]benzamide?
The InChIKey is UMKQOBFDYKDOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO/c1-12(9-14-3-2-4-16(19)10-14)20-17(21)15-7-5-13(11-18)6-8-15/h2-8,10,12H,9,11H2,1H3,(H,20,21).
What are the key properties of 4-(bromomethyl)-N-[1-(3-chlorophenyl)propan-2-yl]benzamide?
4-(bromomethyl)-N-[1-(3-chlorophenyl)propan-2-yl]benzamide has a molecular weight of 366.69 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-[1-(3-chlorophenyl)propan-2-yl]benzamide is sourced from PubChem (CID 102851122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).