N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-pyrrolidin-3-yl]benzamide

C19H21ClN2O2 — CID 95720866

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccccc1[C@H]1CCNC1
InChIInChI=1S/C19H21ClN2O2/c1-12-9-17(18(24-2)10-16(12)20)22-19(23)15-6-4-3-5-14(15)13-7-8-21-11-13/h3-6,9-10,13,21H,7-8,11H2,1-2H3,(H,22,23)/t13-/m0/s1
InChIKeyXMNPODOFIGQTCN-ZDUSSCGKSA-N
MW344.84 g/mol
LogP3.99
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-pyrrolidin-3-yl]benzamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-pyrrolidin-3-yl]benzamide (PubChem CID 95720866) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-pyrrolidin-3-yl]benzamide
PubChem CID95720866
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccccc1[C@H]1CCNC1
InChIInChI=1S/C19H21ClN2O2/c1-12-9-17(18(24-2)10-16(12)20)22-19(23)15-6-4-3-5-14(15)13-7-8-21-11-13/h3-6,9-10,13,21H,7-8,11H2,1-2H3,(H,22,23)/t13-/m0/s1
InChIKeyXMNPODOFIGQTCN-ZDUSSCGKSA-N
XLogP3.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-pyrrolidin-3-yl]benzamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-pyrrolidin-3-yl]benzamide (CID 95720866) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-pyrrolidin-3-yl]benzamide is COc1cc(Cl)c(C)cc1NC(=O)c1ccccc1[C@H]1CCNC1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-pyrrolidin-3-yl]benzamide?
The InChIKey is XMNPODOFIGQTCN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-12-9-17(18(24-2)10-16(12)20)22-19(23)15-6-4-3-5-14(15)13-7-8-21-11-13/h3-6,9-10,13,21H,7-8,11H2,1-2H3,(H,22,23)/t13-/m0/s1.
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-pyrrolidin-3-yl]benzamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-pyrrolidin-3-yl]benzamide has a molecular weight of 344.84 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 95720866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).