N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-chloro-1-methylpyrrole-2-carboxamide

C19H23ClN4O2 — CID 136521083

IUPACN-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-chloro-1-methylpyrrole-2-carboxamide
SMILESCC(=O)N1CCN(Cc2ccc(NC(=O)c3cc(Cl)cn3C)cc2)CC1
InChIInChI=1S/C19H23ClN4O2/c1-14(25)24-9-7-23(8-10-24)12-15-3-5-17(6-4-15)21-19(26)18-11-16(20)13-22(18)2/h3-6,11,13H,7-10,12H2,1-2H3,(H,21,26)
InChIKeyYUERRGJHHIELFA-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.59
Rot. Bonds4

About N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-chloro-1-methylpyrrole-2-carboxamide

N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-chloro-1-methylpyrrole-2-carboxamide (PubChem CID 136521083) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-chloro-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-chloro-1-methylpyrrole-2-carboxamide
PubChem CID136521083
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC NameN-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-chloro-1-methylpyrrole-2-carboxamide
SMILESCC(=O)N1CCN(Cc2ccc(NC(=O)c3cc(Cl)cn3C)cc2)CC1
InChIInChI=1S/C19H23ClN4O2/c1-14(25)24-9-7-23(8-10-24)12-15-3-5-17(6-4-15)21-19(26)18-11-16(20)13-22(18)2/h3-6,11,13H,7-10,12H2,1-2H3,(H,21,26)
InChIKeyYUERRGJHHIELFA-UHFFFAOYSA-N
XLogP2.59
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]benzoic acid
CID 28740773
N-(4-anilinophenyl)-4-chloro-1-methylpyrrole-2-carboxamide
CID 47015100
N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide
CID 119047961
2,5-difluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 108743754
N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(2,6-dichlorophenyl)propanamide
CID 75446836
(4-chloro-1-methylpyrrol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 56810688
2,2,2-trichloro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 108743657
N-(3-bromo-4-iodophenyl)-4-chloro-1-methylpyrrole-2-carboxamide
CID 114262157
1-[4-[[4-(chloromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 175453209
N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 84614037
4-[(4-chlorophenyl)methyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113107874
N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-(5-amino-2-methylphenyl)benzamide
CID 68867201

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-chloro-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-chloro-1-methylpyrrole-2-carboxamide (CID 136521083) is N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-chloro-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-chloro-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-chloro-1-methylpyrrole-2-carboxamide is CC(=O)N1CCN(Cc2ccc(NC(=O)c3cc(Cl)cn3C)cc2)CC1.
What is the InChIKey of N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-chloro-1-methylpyrrole-2-carboxamide?
The InChIKey is YUERRGJHHIELFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-14(25)24-9-7-23(8-10-24)12-15-3-5-17(6-4-15)21-19(26)18-11-16(20)13-22(18)2/h3-6,11,13H,7-10,12H2,1-2H3,(H,21,26).
What are the key properties of N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-chloro-1-methylpyrrole-2-carboxamide?
N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-chloro-1-methylpyrrole-2-carboxamide has a molecular weight of 374.87 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-chloro-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 136521083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).