4-(bromomethyl)-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide

C16H15Br2NO — CID 102851910

IUPAC4-(bromomethyl)-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(CBr)cc1)c1cccc(Br)c1
InChIInChI=1S/C16H15Br2NO/c1-11(14-3-2-4-15(18)9-14)19-16(20)13-7-5-12(10-17)6-8-13/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyBOGUXLDIFTWJGP-NSHDSACASA-N
MW397.11 g/mol
LogP4.84
Rot. Bonds4

About 4-(bromomethyl)-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide

4-(bromomethyl)-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide (PubChem CID 102851910) has the molecular formula C16H15Br2NO and a molecular weight of 397.11 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
PubChem CID102851910
Molecular FormulaC16H15Br2NO
Molecular Weight397.11 g/mol
Exact Mass394.95
IUPAC Name4-(bromomethyl)-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(CBr)cc1)c1cccc(Br)c1
InChIInChI=1S/C16H15Br2NO/c1-11(14-3-2-4-15(18)9-14)19-16(20)13-7-5-12(10-17)6-8-13/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyBOGUXLDIFTWJGP-NSHDSACASA-N
XLogP4.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.11
LogP ≤ 54.84
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

4-(bromomethyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide
CID 102851079
4-(acetamidomethyl)-N-[1-(3-bromophenyl)ethyl]benzamide
CID 46582184
4-(bromomethyl)-N-[1-(4-bromophenyl)ethyl]benzamide
CID 102850891
4-amino-N-[1-(3-bromophenyl)ethyl]-3-methylbenzamide
CID 43699110
4-bromo-N-[1-(3-bromophenyl)ethyl]-3-hydroxybenzamide
CID 103830500
4-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenoxy]benzamide
CID 56545771
N-[1-(3-bromophenyl)ethyl]pyrimidine-5-carboxamide
CID 113434406
N-[1-(3-bromophenyl)ethyl]-3-iodobenzamide
CID 63531674
3-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-4-methylbenzamide
CID 81376337
3-bromo-N-[1-(3-bromophenyl)ethyl]-4-methoxybenzamide
CID 46585346
N-[2-[1-(3-bromophenyl)ethylamino]-2-oxoethyl]benzamide
CID 42884462
tert-butyl N-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenyl]carbamate
CID 55575237

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide?
The IUPAC name of 4-(bromomethyl)-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide (CID 102851910) is 4-(bromomethyl)-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide?
The canonical SMILES for 4-(bromomethyl)-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide is C[C@H](NC(=O)c1ccc(CBr)cc1)c1cccc(Br)c1.
What is the InChIKey of 4-(bromomethyl)-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide?
The InChIKey is BOGUXLDIFTWJGP-NSHDSACASA-N. The full InChI is InChI=1S/C16H15Br2NO/c1-11(14-3-2-4-15(18)9-14)19-16(20)13-7-5-12(10-17)6-8-13/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1.
What are the key properties of 4-(bromomethyl)-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide?
4-(bromomethyl)-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide has a molecular weight of 397.11 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide is sourced from PubChem (CID 102851910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).