N-benzyl-N-[(3-bromophenyl)methyl]formamide

C15H14BrNO — CID 87851902

IUPACN-benzyl-N-[(3-bromophenyl)methyl]formamide
SMILESO=CN(Cc1ccccc1)Cc1cccc(Br)c1
InChIInChI=1S/C15H14BrNO/c16-15-8-4-7-14(9-15)11-17(12-18)10-13-5-2-1-3-6-13/h1-9,12H,10-11H2
InChIKeyDUPOKROVHCYKAF-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.61
Rot. Bonds5

About N-benzyl-N-[(3-bromophenyl)methyl]formamide

N-benzyl-N-[(3-bromophenyl)methyl]formamide (PubChem CID 87851902) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is N-benzyl-N-[(3-bromophenyl)methyl]formamide.

Molecular Properties

Compound NameN-benzyl-N-[(3-bromophenyl)methyl]formamide
PubChem CID87851902
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC NameN-benzyl-N-[(3-bromophenyl)methyl]formamide
SMILESO=CN(Cc1ccccc1)Cc1cccc(Br)c1
InChIInChI=1S/C15H14BrNO/c16-15-8-4-7-14(9-15)11-17(12-18)10-13-5-2-1-3-6-13/h1-9,12H,10-11H2
InChIKeyDUPOKROVHCYKAF-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibenzylformamide;N,N-diethylformamide;methane
CID 160532713
N-benzyl-N-[(3-bromophenyl)methyl]-2-chloroethanamine
CID 55182943
(3-bromophenyl)methyl-tert-butylcarbamic acid
CID 66590853
3-[(3-bromophenyl)methyl-methylamino]prop-2-enoic acid
CID 79896324
1-bromo-3-(diphenylphosphorylmethyl)benzene
CID 172848194
N-benzyl-N-(cyclopropylmethyl)formamide
CID 174364341
3-[(3-bromophenyl)methyl-[2-(diethylamino)ethyl]amino]propanal
CID 90964944
1-bromo-3-(6-phenylhexyl)benzene
CID 145197049
N-[(3-bromophenyl)methyl]-N-propylpropan-1-amine
CID 60684600
(3-bromophenyl)methyl-(oxiran-2-ylmethyl)carbamic acid
CID 87093261
N'-[(3-bromophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61415516
2-[(3-bromophenyl)methyl-methylamino]-5-fluorobenzaldehyde
CID 61416401

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(3-bromophenyl)methyl]formamide?
The IUPAC name of N-benzyl-N-[(3-bromophenyl)methyl]formamide (CID 87851902) is N-benzyl-N-[(3-bromophenyl)methyl]formamide.
What is the SMILES notation for N-benzyl-N-[(3-bromophenyl)methyl]formamide?
The canonical SMILES for N-benzyl-N-[(3-bromophenyl)methyl]formamide is O=CN(Cc1ccccc1)Cc1cccc(Br)c1.
What is the InChIKey of N-benzyl-N-[(3-bromophenyl)methyl]formamide?
The InChIKey is DUPOKROVHCYKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c16-15-8-4-7-14(9-15)11-17(12-18)10-13-5-2-1-3-6-13/h1-9,12H,10-11H2.
What are the key properties of N-benzyl-N-[(3-bromophenyl)methyl]formamide?
N-benzyl-N-[(3-bromophenyl)methyl]formamide has a molecular weight of 304.19 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(3-bromophenyl)methyl]formamide is sourced from PubChem (CID 87851902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).