N-(4-chloro-2-pyrrol-1-ylphenyl)-2-methoxybenzamide

C18H15ClN2O2 — CID 56530750

IUPACN-(4-chloro-2-pyrrol-1-ylphenyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(Cl)cc1-n1cccc1
InChIInChI=1S/C18H15ClN2O2/c1-23-17-7-3-2-6-14(17)18(22)20-15-9-8-13(19)12-16(15)21-10-4-5-11-21/h2-12H,1H3,(H,20,22)
InChIKeyPBJMADPCSVOYDW-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.39
Rot. Bonds4

About N-(4-chloro-2-pyrrol-1-ylphenyl)-2-methoxybenzamide

N-(4-chloro-2-pyrrol-1-ylphenyl)-2-methoxybenzamide (PubChem CID 56530750) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is N-(4-chloro-2-pyrrol-1-ylphenyl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyrrol-1-ylphenyl)-2-methoxybenzamide
PubChem CID56530750
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC NameN-(4-chloro-2-pyrrol-1-ylphenyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(Cl)cc1-n1cccc1
InChIInChI=1S/C18H15ClN2O2/c1-23-17-7-3-2-6-14(17)18(22)20-15-9-8-13(19)12-16(15)21-10-4-5-11-21/h2-12H,1H3,(H,20,22)
InChIKeyPBJMADPCSVOYDW-UHFFFAOYSA-N
XLogP4.39
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-methoxyethoxy)benzamide
CID 56530719
N-(2,4-dichlorophenyl)-2-methoxybenzamide
CID 814241
N-(5-chloro-2-fluorophenyl)-2-methoxybenzamide
CID 8759235
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
CID 95557632
4-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-2-carboxamide
CID 56530341
2-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 1119717
N-[2-amino-4-(trifluoromethyl)phenyl]-2-methoxybenzamide
CID 16775181
5-bromo-2-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-3-carboxamide
CID 56582460
N-(2-imidazol-1-ylphenyl)-2-methoxybenzamide
CID 12911562
N-(4-amino-2-hydroxyphenyl)-2-methoxybenzamide
CID 51063245
N-(2-amino-4-chlorophenyl)-3-methoxynaphthalene-2-carboxamide
CID 91687381
N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-methoxybenzamide
CID 26686342

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyrrol-1-ylphenyl)-2-methoxybenzamide?
The IUPAC name of N-(4-chloro-2-pyrrol-1-ylphenyl)-2-methoxybenzamide (CID 56530750) is N-(4-chloro-2-pyrrol-1-ylphenyl)-2-methoxybenzamide.
What is the SMILES notation for N-(4-chloro-2-pyrrol-1-ylphenyl)-2-methoxybenzamide?
The canonical SMILES for N-(4-chloro-2-pyrrol-1-ylphenyl)-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc(Cl)cc1-n1cccc1.
What is the InChIKey of N-(4-chloro-2-pyrrol-1-ylphenyl)-2-methoxybenzamide?
The InChIKey is PBJMADPCSVOYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-23-17-7-3-2-6-14(17)18(22)20-15-9-8-13(19)12-16(15)21-10-4-5-11-21/h2-12H,1H3,(H,20,22).
What are the key properties of N-(4-chloro-2-pyrrol-1-ylphenyl)-2-methoxybenzamide?
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-methoxybenzamide has a molecular weight of 326.78 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyrrol-1-ylphenyl)-2-methoxybenzamide is sourced from PubChem (CID 56530750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).