4-amino-5-chloro-2-methoxy-N-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]benzamide

C18H25ClN4O3 — CID 139786669

IUPAC4-amino-5-chloro-2-methoxy-N-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC1CCN(C(=O)C2CCNCC2)C1
InChIInChI=1S/C18H25ClN4O3/c1-26-16-9-15(20)14(19)8-13(16)17(24)22-12-4-7-23(10-12)18(25)11-2-5-21-6-3-11/h8-9,11-12,21H,2-7,10,20H2,1H3,(H,22,24)
InChIKeyZUURCHKWXZOTRK-UHFFFAOYSA-N
MW380.88 g/mol
LogP1.26
Rot. Bonds4

About 4-amino-5-chloro-2-methoxy-N-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]benzamide

4-amino-5-chloro-2-methoxy-N-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]benzamide (PubChem CID 139786669) has the molecular formula C18H25ClN4O3 and a molecular weight of 380.88 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]benzamide
PubChem CID139786669
Molecular FormulaC18H25ClN4O3
Molecular Weight380.88 g/mol
Exact Mass380.16
IUPAC Name4-amino-5-chloro-2-methoxy-N-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC1CCN(C(=O)C2CCNCC2)C1
InChIInChI=1S/C18H25ClN4O3/c1-26-16-9-15(20)14(19)8-13(16)17(24)22-12-4-7-23(10-12)18(25)11-2-5-21-6-3-11/h8-9,11-12,21H,2-7,10,20H2,1H3,(H,22,24)
InChIKeyZUURCHKWXZOTRK-UHFFFAOYSA-N
XLogP1.26
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-chloro-N-cyclohexyl-2-methoxybenzamide;hydrochloride
CID 119670043
4-amino-5-chloro-2-methoxy-N-(2,3,5,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-2-yl)benzamide
CID 13121444
4-amino-5-chloro-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methoxybenzamide
CID 119899547
2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]butanoic acid
CID 22080716
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxybenzamide
CID 110871467
methyl 5-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]hexanoate
CID 142628583
N-[1-(4-amino-5-chloro-2-methoxybenzoyl)pyrrolidin-3-yl]methanesulfonamide
CID 119793545
N-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119698241
4-amino-N-(1-benzhydrylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;hydrochloride
CID 3044767
4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride
CID 119827622
N-[(2S,6R,9aR)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-4-amino-5-chloro-2-methoxybenzamide
CID 505951
4-amino-5-chloro-2-methoxy-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 119701825

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]benzamide (CID 139786669) is 4-amino-5-chloro-2-methoxy-N-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]benzamide is COc1cc(N)c(Cl)cc1C(=O)NC1CCN(C(=O)C2CCNCC2)C1.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]benzamide?
The InChIKey is ZUURCHKWXZOTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O3/c1-26-16-9-15(20)14(19)8-13(16)17(24)22-12-4-7-23(10-12)18(25)11-2-5-21-6-3-11/h8-9,11-12,21H,2-7,10,20H2,1H3,(H,22,24).
What are the key properties of 4-amino-5-chloro-2-methoxy-N-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]benzamide?
4-amino-5-chloro-2-methoxy-N-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]benzamide has a molecular weight of 380.88 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 139786669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).