N-[4-amino-2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methoxybenzamide

C19H23ClN4O2 — CID 50881780

IUPACN-[4-amino-2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(N3CCN(C)CC3)c(N)cc2Cl)c1
InChIInChI=1S/C19H23ClN4O2/c1-23-6-8-24(9-7-23)18-12-17(15(20)11-16(18)21)22-19(25)13-4-3-5-14(10-13)26-2/h3-5,10-12H,6-9,21H2,1-2H3,(H,22,25)
InChIKeyZIHYDCXXQIVRQR-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.93
Rot. Bonds4

About N-[4-amino-2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methoxybenzamide

N-[4-amino-2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methoxybenzamide (PubChem CID 50881780) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[4-amino-2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-amino-2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methoxybenzamide
PubChem CID50881780
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC NameN-[4-amino-2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(N3CCN(C)CC3)c(N)cc2Cl)c1
InChIInChI=1S/C19H23ClN4O2/c1-23-6-8-24(9-7-23)18-12-17(15(20)11-16(18)21)22-19(25)13-4-3-5-14(10-13)26-2/h3-5,10-12H,6-9,21H2,1-2H3,(H,22,25)
InChIKeyZIHYDCXXQIVRQR-UHFFFAOYSA-N
XLogP2.93
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-chloro-5-(4-methylpiperazin-1-yl)-4-nitrophenyl]-3-methoxybenzamide
CID 50881799
N-[4-amino-2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-4-tert-butylbenzamide
CID 50881655
N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-3-methylbenzamide
CID 50881210
N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-3-methoxybenzamide
CID 50881808
N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide
CID 91675880
N-[4-amino-2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 50881129
N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-3-propoxybenzamide
CID 91675876
3-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 71790006
4-chloro-3-[(3-methoxybenzoyl)amino]benzamide
CID 50875837
N-(3-amino-4-morpholin-4-ylphenyl)-3-methoxybenzamide
CID 28688979
N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-methoxybenzamide
CID 7379395
N-(2-chloro-4-iodophenyl)-3-methoxybenzamide
CID 1371600

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methoxybenzamide?
The IUPAC name of N-[4-amino-2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methoxybenzamide (CID 50881780) is N-[4-amino-2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-amino-2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-amino-2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2cc(N3CCN(C)CC3)c(N)cc2Cl)c1.
What is the InChIKey of N-[4-amino-2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methoxybenzamide?
The InChIKey is ZIHYDCXXQIVRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-23-6-8-24(9-7-23)18-12-17(15(20)11-16(18)21)22-19(25)13-4-3-5-14(10-13)26-2/h3-5,10-12H,6-9,21H2,1-2H3,(H,22,25).
What are the key properties of N-[4-amino-2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methoxybenzamide?
N-[4-amino-2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methoxybenzamide has a molecular weight of 374.87 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methoxybenzamide is sourced from PubChem (CID 50881780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).