N-(3-bromophenyl)-4-(diethylamino)benzamide

C17H19BrN2O — CID 690499

IUPACN-(3-bromophenyl)-4-(diethylamino)benzamide
SMILESCCN(CC)c1ccc(C(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C17H19BrN2O/c1-3-20(4-2)16-10-8-13(9-11-16)17(21)19-15-7-5-6-14(18)12-15/h5-12H,3-4H2,1-2H3,(H,19,21)
InChIKeyPDZWGZWRCQAZCQ-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.55
Rot. Bonds5

About N-(3-bromophenyl)-4-(diethylamino)benzamide

N-(3-bromophenyl)-4-(diethylamino)benzamide (PubChem CID 690499) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-(diethylamino)benzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-(diethylamino)benzamide
PubChem CID690499
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC NameN-(3-bromophenyl)-4-(diethylamino)benzamide
SMILESCCN(CC)c1ccc(C(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C17H19BrN2O/c1-3-20(4-2)16-10-8-13(9-11-16)17(21)19-15-7-5-6-14(18)12-15/h5-12H,3-4H2,1-2H3,(H,19,21)
InChIKeyPDZWGZWRCQAZCQ-UHFFFAOYSA-N
XLogP4.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-4-[ethylsulfonyl(methyl)amino]benzamide
CID 8991381
ethyl 3-[[4-(diethylamino)benzoyl]amino]benzoate
CID 5194656
[2-(3-bromoanilino)-2-oxoethyl] 4-(diethylamino)benzoate
CID 7666010
4-N-(3-bromophenyl)benzene-1,4-dicarboxamide
CID 30844565
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
N'-(3-acetylphenyl)-N-[4-(diethylamino)phenyl]oxamide
CID 108515024
N-[4-(diethylamino)phenyl]-3-methylbenzamide
CID 835431
3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 2844876
N-(3-bromophenyl)-4-carbamothioylbenzamide
CID 24708303
N-[4-(diethylamino)phenyl]-3-(dimethylamino)benzamide
CID 8761945
N-[4-(diethylamino)phenyl]-3-iodobenzamide
CID 2665797
N-(3-bromophenyl)-3-[ethylsulfonyl(methyl)amino]benzamide
CID 100785831

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-(diethylamino)benzamide?
The IUPAC name of N-(3-bromophenyl)-4-(diethylamino)benzamide (CID 690499) is N-(3-bromophenyl)-4-(diethylamino)benzamide.
What is the SMILES notation for N-(3-bromophenyl)-4-(diethylamino)benzamide?
The canonical SMILES for N-(3-bromophenyl)-4-(diethylamino)benzamide is CCN(CC)c1ccc(C(=O)Nc2cccc(Br)c2)cc1.
What is the InChIKey of N-(3-bromophenyl)-4-(diethylamino)benzamide?
The InChIKey is PDZWGZWRCQAZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-3-20(4-2)16-10-8-13(9-11-16)17(21)19-15-7-5-6-14(18)12-15/h5-12H,3-4H2,1-2H3,(H,19,21).
What are the key properties of N-(3-bromophenyl)-4-(diethylamino)benzamide?
N-(3-bromophenyl)-4-(diethylamino)benzamide has a molecular weight of 347.26 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-(diethylamino)benzamide is sourced from PubChem (CID 690499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).