4-[[1-(4-bromophenyl)propan-2-ylamino]methyl]benzamide

C17H19BrN2O — CID 43783642

IUPAC4-[[1-(4-bromophenyl)propan-2-ylamino]methyl]benzamide
SMILESCC(Cc1ccc(Br)cc1)NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H19BrN2O/c1-12(10-13-4-8-16(18)9-5-13)20-11-14-2-6-15(7-3-14)17(19)21/h2-9,12,20H,10-11H2,1H3,(H2,19,21)
InChIKeyZTCOCBMXLQNFRO-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.27
Rot. Bonds6

About 4-[[1-(4-bromophenyl)propan-2-ylamino]methyl]benzamide

4-[[1-(4-bromophenyl)propan-2-ylamino]methyl]benzamide (PubChem CID 43783642) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 4-[[1-(4-bromophenyl)propan-2-ylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[1-(4-bromophenyl)propan-2-ylamino]methyl]benzamide
PubChem CID43783642
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name4-[[1-(4-bromophenyl)propan-2-ylamino]methyl]benzamide
SMILESCC(Cc1ccc(Br)cc1)NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H19BrN2O/c1-12(10-13-4-8-16(18)9-5-13)20-11-14-2-6-15(7-3-14)17(19)21/h2-9,12,20H,10-11H2,1H3,(H2,19,21)
InChIKeyZTCOCBMXLQNFRO-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1-phenylpropan-2-ylamino)methyl]benzamide
CID 63012099
N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956706
2-[(4-bromophenyl)methylamino]propanamide
CID 43402314
4-[(4-ethylsulfanylbutan-2-ylamino)methyl]benzamide
CID 115660454
methyl 2-[(4-carbamoylphenyl)methylamino]propanoate
CID 60781943
4-[[4-(4-hydroxyphenyl)butan-2-ylamino]methyl]benzamide
CID 119122196
1-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine
CID 60789791
4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
CID 60674315
4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzamide
CID 103700904
4-[4-[(propan-2-ylamino)methyl]phenoxy]benzamide
CID 43283523
4-[(dicyclopropylmethylamino)methyl]benzamide
CID 43234872
4-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]benzoic acid
CID 81354918

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-bromophenyl)propan-2-ylamino]methyl]benzamide?
The IUPAC name of 4-[[1-(4-bromophenyl)propan-2-ylamino]methyl]benzamide (CID 43783642) is 4-[[1-(4-bromophenyl)propan-2-ylamino]methyl]benzamide.
What is the SMILES notation for 4-[[1-(4-bromophenyl)propan-2-ylamino]methyl]benzamide?
The canonical SMILES for 4-[[1-(4-bromophenyl)propan-2-ylamino]methyl]benzamide is CC(Cc1ccc(Br)cc1)NCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[1-(4-bromophenyl)propan-2-ylamino]methyl]benzamide?
The InChIKey is ZTCOCBMXLQNFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-12(10-13-4-8-16(18)9-5-13)20-11-14-2-6-15(7-3-14)17(19)21/h2-9,12,20H,10-11H2,1H3,(H2,19,21).
What are the key properties of 4-[[1-(4-bromophenyl)propan-2-ylamino]methyl]benzamide?
4-[[1-(4-bromophenyl)propan-2-ylamino]methyl]benzamide has a molecular weight of 347.26 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-bromophenyl)propan-2-ylamino]methyl]benzamide is sourced from PubChem (CID 43783642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).