N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-2-methoxy-N-pyrrolidin-3-ylbenzamide

C19H25ClN2O2 — CID 72991368

IUPACN-(2-bicyclo[2.2.1]heptanyl)-4-chloro-2-methoxy-N-pyrrolidin-3-ylbenzamide
SMILESCOc1cc(Cl)ccc1C(=O)N(C1CCNC1)C1CC2CCC1C2
InChIInChI=1S/C19H25ClN2O2/c1-24-18-10-14(20)4-5-16(18)19(23)22(15-6-7-21-11-15)17-9-12-2-3-13(17)8-12/h4-5,10,12-13,15,17,21H,2-3,6-9,11H2,1H3
InChIKeyNMBXZEQKKLBTSZ-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.34
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-2-methoxy-N-pyrrolidin-3-ylbenzamide

N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-2-methoxy-N-pyrrolidin-3-ylbenzamide (PubChem CID 72991368) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-2-methoxy-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-4-chloro-2-methoxy-N-pyrrolidin-3-ylbenzamide
PubChem CID72991368
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-4-chloro-2-methoxy-N-pyrrolidin-3-ylbenzamide
SMILESCOc1cc(Cl)ccc1C(=O)N(C1CCNC1)C1CC2CCC1C2
InChIInChI=1S/C19H25ClN2O2/c1-24-18-10-14(20)4-5-16(18)19(23)22(15-6-7-21-11-15)17-9-12-2-3-13(17)8-12/h4-5,10,12-13,15,17,21H,2-3,6-9,11H2,1H3
InChIKeyNMBXZEQKKLBTSZ-UHFFFAOYSA-N
XLogP3.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-2-methoxy-N-pyrrolidin-3-ylbenzamide with MolForge

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Related Compounds

N-(2-bicyclo[2.2.1]heptanyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
CID 11610012
N-(azetidin-3-yl)-4-chloro-2-methoxy-N-methylbenzamide
CID 66187779
4-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-methoxybenzamide
CID 55186100
4-chloro-2-methoxy-N-piperidin-3-ylbenzamide
CID 63321384
4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63630238
(5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568381
4-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 102867141
2,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 11336016
2-(5-chloro-2-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119529826
4-chloro-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzamide
CID 63299739
N-[(1S,5R)-3-bicyclo[3.2.0]heptanyl]-2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 11588392
2-bicyclo[2.2.1]heptanylmethyl 4-amino-2-methoxybenzoate
CID 104784089

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-2-methoxy-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-2-methoxy-N-pyrrolidin-3-ylbenzamide (CID 72991368) is N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-2-methoxy-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-2-methoxy-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-2-methoxy-N-pyrrolidin-3-ylbenzamide is COc1cc(Cl)ccc1C(=O)N(C1CCNC1)C1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-2-methoxy-N-pyrrolidin-3-ylbenzamide?
The InChIKey is NMBXZEQKKLBTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c1-24-18-10-14(20)4-5-16(18)19(23)22(15-6-7-21-11-15)17-9-12-2-3-13(17)8-12/h4-5,10,12-13,15,17,21H,2-3,6-9,11H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-2-methoxy-N-pyrrolidin-3-ylbenzamide?
N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-2-methoxy-N-pyrrolidin-3-ylbenzamide has a molecular weight of 348.87 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-2-methoxy-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 72991368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).