N-(4-bromo-3-chlorophenyl)-4-ethylpiperidine-4-carboxamide

C14H18BrClN2O — CID 107620276

IUPACN-(4-bromo-3-chlorophenyl)-4-ethylpiperidine-4-carboxamide
SMILESCCC1(C(=O)Nc2ccc(Br)c(Cl)c2)CCNCC1
InChIInChI=1S/C14H18BrClN2O/c1-2-14(5-7-17-8-6-14)13(19)18-10-3-4-11(15)12(16)9-10/h3-4,9,17H,2,5-8H2,1H3,(H,18,19)
InChIKeySEQRROKTKIZDCD-UHFFFAOYSA-N
MW345.67 g/mol
LogP3.82
Rot. Bonds3

About N-(4-bromo-3-chlorophenyl)-4-ethylpiperidine-4-carboxamide

N-(4-bromo-3-chlorophenyl)-4-ethylpiperidine-4-carboxamide (PubChem CID 107620276) has the molecular formula C14H18BrClN2O and a molecular weight of 345.67 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-4-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-4-ethylpiperidine-4-carboxamide
PubChem CID107620276
Molecular FormulaC14H18BrClN2O
Molecular Weight345.67 g/mol
Exact Mass344.03
IUPAC NameN-(4-bromo-3-chlorophenyl)-4-ethylpiperidine-4-carboxamide
SMILESCCC1(C(=O)Nc2ccc(Br)c(Cl)c2)CCNCC1
InChIInChI=1S/C14H18BrClN2O/c1-2-14(5-7-17-8-6-14)13(19)18-10-3-4-11(15)12(16)9-10/h3-4,9,17H,2,5-8H2,1H3,(H,18,19)
InChIKeySEQRROKTKIZDCD-UHFFFAOYSA-N
XLogP3.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.67
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-bromo-3-chlorophenyl)-4-ethylpiperidine-4-carboxamide 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

N-(3-chloro-4-methoxyphenyl)-4-ethylpiperidine-4-carboxamide
CID 63127333
N-(4-bromo-3-methylphenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140591
4-ethyl-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 63127797
4-ethyl-N-pyridin-4-ylpiperidine-4-carboxamide
CID 63127778
2-chloro-4-[(1-ethylcyclobutanecarbonyl)amino]benzoic acid
CID 119178935
4-ethyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 63127198
N-(2-chloro-4-fluorophenyl)-4-ethylpiperidine-4-carboxamide
CID 55177203
2-[3-[(4-ethylpiperidine-4-carbonyl)amino]phenyl]acetic acid
CID 65350521
N-(3-chloro-4-methoxyphenyl)-3-ethylpiperidine-3-carboxamide
CID 63132336
N-(4-chlorophenyl)-4-propylpiperidine-4-carboxamide
CID 63127290
N-(4-bromophenyl)-4-propylpiperidine-4-carboxamide
CID 63127331
N-(2,6-dichloro-3-methylphenyl)-4-ethylpiperidine-4-carboxamide
CID 63127324

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-4-ethylpiperidine-4-carboxamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-4-ethylpiperidine-4-carboxamide (CID 107620276) is N-(4-bromo-3-chlorophenyl)-4-ethylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-4-ethylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-4-ethylpiperidine-4-carboxamide is CCC1(C(=O)Nc2ccc(Br)c(Cl)c2)CCNCC1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-4-ethylpiperidine-4-carboxamide?
The InChIKey is SEQRROKTKIZDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O/c1-2-14(5-7-17-8-6-14)13(19)18-10-3-4-11(15)12(16)9-10/h3-4,9,17H,2,5-8H2,1H3,(H,18,19).
What are the key properties of N-(4-bromo-3-chlorophenyl)-4-ethylpiperidine-4-carboxamide?
N-(4-bromo-3-chlorophenyl)-4-ethylpiperidine-4-carboxamide has a molecular weight of 345.67 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-4-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 107620276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).