N-(4-amino-2-chloro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide

C18H20ClN3O2 — CID 50881913

IUPACN-(4-amino-2-chloro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(N2CCCC2)c(N)cc1Cl
InChIInChI=1S/C18H20ClN3O2/c1-24-17-7-3-2-6-12(17)18(23)21-15-11-16(14(20)10-13(15)19)22-8-4-5-9-22/h2-3,6-7,10-11H,4-5,8-9,20H2,1H3,(H,21,23)
InChIKeyXYLVFCYFUYMNOW-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.78
Rot. Bonds4

About N-(4-amino-2-chloro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide

N-(4-amino-2-chloro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide (PubChem CID 50881913) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-(4-amino-2-chloro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(4-amino-2-chloro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
PubChem CID50881913
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-(4-amino-2-chloro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(N2CCCC2)c(N)cc1Cl
InChIInChI=1S/C18H20ClN3O2/c1-24-17-7-3-2-6-12(17)18(23)21-15-11-16(14(20)10-13(15)19)22-8-4-5-9-22/h2-3,6-7,10-11H,4-5,8-9,20H2,1H3,(H,21,23)
InChIKeyXYLVFCYFUYMNOW-UHFFFAOYSA-N
XLogP3.78
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-nitro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
CID 50881821
N-(5-amino-2-piperidin-1-ylphenyl)-2-methoxybenzamide
CID 91675480
N-(3-amino-4-piperidin-1-ylphenyl)-2-methoxybenzamide
CID 91676435
N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-2-methoxybenzamide
CID 91676222
5-[4-(2-chlorophenyl)piperazin-1-yl]-2-[(2-methoxybenzoyl)amino]benzoic acid
CID 50782404
N-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioyl]-2-methoxybenzamide
CID 1009742
2-methoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1422102
N-[4-amino-2-chloro-5-(4-methylpiperidin-1-yl)phenyl]-2-methylbenzamide
CID 50881063
N-(5-amino-2-morpholin-4-ylphenyl)-2-methoxybenzamide
CID 91675331
N-[4-amino-2-chloro-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-chlorobenzamide
CID 95733324
N-[2-amino-4-methyl-5-(4-methylpiperidin-1-yl)phenyl]-2-methoxybenzamide
CID 91684192
N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-3-methylbenzamide
CID 50881210

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chloro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide?
The IUPAC name of N-(4-amino-2-chloro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide (CID 50881913) is N-(4-amino-2-chloro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide.
What is the SMILES notation for N-(4-amino-2-chloro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide?
The canonical SMILES for N-(4-amino-2-chloro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide is COc1ccccc1C(=O)Nc1cc(N2CCCC2)c(N)cc1Cl.
What is the InChIKey of N-(4-amino-2-chloro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide?
The InChIKey is XYLVFCYFUYMNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-24-17-7-3-2-6-12(17)18(23)21-15-11-16(14(20)10-13(15)19)22-8-4-5-9-22/h2-3,6-7,10-11H,4-5,8-9,20H2,1H3,(H,21,23).
What are the key properties of N-(4-amino-2-chloro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide?
N-(4-amino-2-chloro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide has a molecular weight of 345.83 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chloro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide is sourced from PubChem (CID 50881913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).