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

C18H19ClN2O2 — CID 110361913

IUPACN-(2-chloro-5-pyrrolidin-1-ylphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(N3CCCC3)ccc2Cl)cc1
InChIInChI=1S/C18H19ClN2O2/c1-23-15-7-4-13(5-8-15)18(22)20-17-12-14(6-9-16(17)19)21-10-2-3-11-21/h4-9,12H,2-3,10-11H2,1H3,(H,20,22)
InChIKeyZSCNITDKERQKOQ-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.20
Rot. Bonds4

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

N-(2-chloro-5-pyrrolidin-1-ylphenyl)-4-methoxybenzamide (PubChem CID 110361913) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-(2-chloro-5-pyrrolidin-1-ylphenyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-5-pyrrolidin-1-ylphenyl)-4-methoxybenzamide
PubChem CID110361913
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-(2-chloro-5-pyrrolidin-1-ylphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(N3CCCC3)ccc2Cl)cc1
InChIInChI=1S/C18H19ClN2O2/c1-23-15-7-4-13(5-8-15)18(22)20-17-12-14(6-9-16(17)19)21-10-2-3-11-21/h4-9,12H,2-3,10-11H2,1H3,(H,20,22)
InChIKeyZSCNITDKERQKOQ-UHFFFAOYSA-N
XLogP4.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400402
4-chloro-3-[(4-methoxybenzoyl)amino]benzenesulfonic acid
CID 139946899
N-[5-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-2-chlorophenyl]-4-methoxybenzamide
CID 42869693
3,5-dimethoxy-N-(2-methoxy-5-piperidin-1-ylphenyl)benzamide
CID 110359680
N-(2-fluoro-5-morpholin-4-ylphenyl)-4-methoxybenzamide
CID 110362600
N-[2-chloro-5-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 55956560
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3,5-dimethoxybenzamide
CID 55676037
4-methoxy-N-[2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]benzamide
CID 163663259
N-[5-(azepan-1-yl)-2-pyridinyl]-4-methoxybenzamide
CID 39072257
N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-methoxybenzamide
CID 50791877
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-methoxybenzamide
CID 113092344
N-[3-hydroxy-2-[(4-methoxybenzoyl)amino]phenyl]-4-(4-methyl-1,4-diazepan-1-yl)benzamide
CID 59017240

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-pyrrolidin-1-ylphenyl)-4-methoxybenzamide?
The IUPAC name of N-(2-chloro-5-pyrrolidin-1-ylphenyl)-4-methoxybenzamide (CID 110361913) is N-(2-chloro-5-pyrrolidin-1-ylphenyl)-4-methoxybenzamide.
What is the SMILES notation for N-(2-chloro-5-pyrrolidin-1-ylphenyl)-4-methoxybenzamide?
The canonical SMILES for N-(2-chloro-5-pyrrolidin-1-ylphenyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(N3CCCC3)ccc2Cl)cc1.
What is the InChIKey of N-(2-chloro-5-pyrrolidin-1-ylphenyl)-4-methoxybenzamide?
The InChIKey is ZSCNITDKERQKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-23-15-7-4-13(5-8-15)18(22)20-17-12-14(6-9-16(17)19)21-10-2-3-11-21/h4-9,12H,2-3,10-11H2,1H3,(H,20,22).
What are the key properties of N-(2-chloro-5-pyrrolidin-1-ylphenyl)-4-methoxybenzamide?
N-(2-chloro-5-pyrrolidin-1-ylphenyl)-4-methoxybenzamide has a molecular weight of 330.82 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-pyrrolidin-1-ylphenyl)-4-methoxybenzamide is sourced from PubChem (CID 110361913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).