N-[1-(4-bromophenyl)propyl]-4-(dimethylamino)benzamide

C18H21BrN2O — CID 43011620

IUPACN-[1-(4-bromophenyl)propyl]-4-(dimethylamino)benzamide
SMILESCCC(NC(=O)c1ccc(N(C)C)cc1)c1ccc(Br)cc1
InChIInChI=1S/C18H21BrN2O/c1-4-17(13-5-9-15(19)10-6-13)20-18(22)14-7-11-16(12-8-14)21(2)3/h5-12,17H,4H2,1-3H3,(H,20,22)
InChIKeyYMPLCHGEWMSMAI-UHFFFAOYSA-N
MW361.28 g/mol
LogP4.40
Rot. Bonds5

About N-[1-(4-bromophenyl)propyl]-4-(dimethylamino)benzamide

N-[1-(4-bromophenyl)propyl]-4-(dimethylamino)benzamide (PubChem CID 43011620) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-4-(dimethylamino)benzamide
PubChem CID43011620
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC NameN-[1-(4-bromophenyl)propyl]-4-(dimethylamino)benzamide
SMILESCCC(NC(=O)c1ccc(N(C)C)cc1)c1ccc(Br)cc1
InChIInChI=1S/C18H21BrN2O/c1-4-17(13-5-9-15(19)10-6-13)20-18(22)14-7-11-16(12-8-14)21(2)3/h5-12,17H,4H2,1-3H3,(H,20,22)
InChIKeyYMPLCHGEWMSMAI-UHFFFAOYSA-N
XLogP4.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(dimethylamino)-N-[1-(4-methylphenyl)propyl]benzamide
CID 24543534
N-[(1S)-1-(4-bromophenyl)propyl]benzamide
CID 26776311
3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide
CID 107980228
N-[(1S)-1-(4-bromophenyl)propyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 27164187
N-[1-(4-bromophenyl)propyl]thiophene-3-carboxamide
CID 43022770
4-(dimethylamino)-N-(1-hydroxypropyl)benzamide
CID 126643932
4-bromo-N-[2-(dimethylamino)-1-(4-fluorophenyl)ethyl]benzamide
CID 155947722
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
4-[[1-(4-bromophenyl)propylamino]methyl]-N,N-dimethylaniline
CID 43182464
3-(dimethylamino)-N-[1-(4-methylphenyl)propyl]benzamide
CID 112766095
(3S)-3-[(4-chlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]propanoate
CID 6937101
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-4-(dimethylamino)benzamide?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-4-(dimethylamino)benzamide (CID 43011620) is N-[1-(4-bromophenyl)propyl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-4-(dimethylamino)benzamide is CCC(NC(=O)c1ccc(N(C)C)cc1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-4-(dimethylamino)benzamide?
The InChIKey is YMPLCHGEWMSMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O/c1-4-17(13-5-9-15(19)10-6-13)20-18(22)14-7-11-16(12-8-14)21(2)3/h5-12,17H,4H2,1-3H3,(H,20,22).
What are the key properties of N-[1-(4-bromophenyl)propyl]-4-(dimethylamino)benzamide?
N-[1-(4-bromophenyl)propyl]-4-(dimethylamino)benzamide has a molecular weight of 361.28 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-4-(dimethylamino)benzamide is sourced from PubChem (CID 43011620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).