N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide

C20H24ClN3O2 — CID 5030809

IUPACN-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide
SMILESCCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C20H24ClN3O2/c1-3-23-11-13-24(14-12-23)19-17(21)5-4-6-18(19)22-20(25)15-7-9-16(26-2)10-8-15/h4-10H,3,11-14H2,1-2H3,(H,22,25)
InChIKeyWWLWMMQGJZGXEN-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.74
Rot. Bonds5

About N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide

N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide (PubChem CID 5030809) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide
PubChem CID5030809
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide
SMILESCCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C20H24ClN3O2/c1-3-23-11-13-24(14-12-23)19-17(21)5-4-6-18(19)22-20(25)15-7-9-16(26-2)10-8-15/h4-10H,3,11-14H2,1-2H3,(H,22,25)
InChIKeyWWLWMMQGJZGXEN-UHFFFAOYSA-N
XLogP3.74
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3,4-dimethoxybenzamide
CID 5021302
4-bromo-N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
CID 4566183
4-butoxy-N-(3-chloro-2-pyrrolidin-1-ylphenyl)benzamide
CID 4000816
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-propoxybenzamide
CID 17177021
5-chloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 4653783
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]butanamide
CID 952456
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4665581
N-(3-chloro-2-piperidin-1-ylphenyl)-4-methylbenzamide
CID 952476
4-butoxy-N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17066222
N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]butanamide
CID 3483865
2-chloro-6-[(4-methoxybenzoyl)amino]benzoic acid
CID 63722745
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(4-methoxyphenoxy)acetamide
CID 17177111

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide?
The IUPAC name of N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide (CID 5030809) is N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide is CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide?
The InChIKey is WWLWMMQGJZGXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-3-23-11-13-24(14-12-23)19-17(21)5-4-6-18(19)22-20(25)15-7-9-16(26-2)10-8-15/h4-10H,3,11-14H2,1-2H3,(H,22,25).
What are the key properties of N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide?
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide has a molecular weight of 373.88 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 5030809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).