3-[1-(3-bromothiophen-2-yl)ethylamino]-4-chloro-N,N-dimethylbenzamide

C15H16BrClN2OS — CID 43789676

IUPAC3-[1-(3-bromothiophen-2-yl)ethylamino]-4-chloro-N,N-dimethylbenzamide
SMILESCC(Nc1cc(C(=O)N(C)C)ccc1Cl)c1sccc1Br
InChIInChI=1S/C15H16BrClN2OS/c1-9(14-11(16)6-7-21-14)18-13-8-10(4-5-12(13)17)15(20)19(2)3/h4-9,18H,1-3H3
InChIKeyYLBFKEWRDKJOMH-UHFFFAOYSA-N
MW387.73 g/mol
LogP5.04
Rot. Bonds4

About 3-[1-(3-bromothiophen-2-yl)ethylamino]-4-chloro-N,N-dimethylbenzamide

3-[1-(3-bromothiophen-2-yl)ethylamino]-4-chloro-N,N-dimethylbenzamide (PubChem CID 43789676) has the molecular formula C15H16BrClN2OS and a molecular weight of 387.73 g/mol. Its IUPAC name is 3-[1-(3-bromothiophen-2-yl)ethylamino]-4-chloro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[1-(3-bromothiophen-2-yl)ethylamino]-4-chloro-N,N-dimethylbenzamide
PubChem CID43789676
Molecular FormulaC15H16BrClN2OS
Molecular Weight387.73 g/mol
Exact Mass385.99
IUPAC Name3-[1-(3-bromothiophen-2-yl)ethylamino]-4-chloro-N,N-dimethylbenzamide
SMILESCC(Nc1cc(C(=O)N(C)C)ccc1Cl)c1sccc1Br
InChIInChI=1S/C15H16BrClN2OS/c1-9(14-11(16)6-7-21-14)18-13-8-10(4-5-12(13)17)15(20)19(2)3/h4-9,18H,1-3H3
InChIKeyYLBFKEWRDKJOMH-UHFFFAOYSA-N
XLogP5.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.73
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-(3-bromothiophen-2-yl)ethylamino]-4-chloro-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N,N-dimethyl-3-(pentan-3-ylamino)benzamide
CID 43738776
3-[(2-bromo-3-methylbutanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 43696142
4-N-[1-(3-bromothiophen-2-yl)ethyl]-2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine
CID 55191782
N-[1-(3-bromothiophen-2-yl)ethyl]-5-chloro-2,4-dimethoxyaniline
CID 43760286
3-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 60794257
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27678340
3-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-chloro-N,N-dimethylbenzamide
CID 79011608
4-chloro-3-[1-(furan-2-yl)propylamino]-N,N-dimethylbenzamide
CID 62633081
N-[1-(3-bromothiophen-2-yl)ethyl]-3-chloro-4-methylaniline
CID 43757455
3-[(2-amino-2-methylpropanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 61265397
3-[[2-(tert-butylamino)acetyl]amino]-4-chloro-N,N-dimethylbenzamide
CID 78954083
4-bromo-N-[1-(3-bromothiophen-2-yl)ethyl]-2-methylaniline
CID 43758862

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-bromothiophen-2-yl)ethylamino]-4-chloro-N,N-dimethylbenzamide?
The IUPAC name of 3-[1-(3-bromothiophen-2-yl)ethylamino]-4-chloro-N,N-dimethylbenzamide (CID 43789676) is 3-[1-(3-bromothiophen-2-yl)ethylamino]-4-chloro-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[1-(3-bromothiophen-2-yl)ethylamino]-4-chloro-N,N-dimethylbenzamide?
The canonical SMILES for 3-[1-(3-bromothiophen-2-yl)ethylamino]-4-chloro-N,N-dimethylbenzamide is CC(Nc1cc(C(=O)N(C)C)ccc1Cl)c1sccc1Br.
What is the InChIKey of 3-[1-(3-bromothiophen-2-yl)ethylamino]-4-chloro-N,N-dimethylbenzamide?
The InChIKey is YLBFKEWRDKJOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2OS/c1-9(14-11(16)6-7-21-14)18-13-8-10(4-5-12(13)17)15(20)19(2)3/h4-9,18H,1-3H3.
What are the key properties of 3-[1-(3-bromothiophen-2-yl)ethylamino]-4-chloro-N,N-dimethylbenzamide?
3-[1-(3-bromothiophen-2-yl)ethylamino]-4-chloro-N,N-dimethylbenzamide has a molecular weight of 387.73 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-bromothiophen-2-yl)ethylamino]-4-chloro-N,N-dimethylbenzamide is sourced from PubChem (CID 43789676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).