4-(2-amino-2-oxoethoxy)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-3-chloro-5-methoxybenzamide

C21H23ClN4O5 — CID 24614219

IUPAC4-(2-amino-2-oxoethoxy)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-3-chloro-5-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C21H23ClN4O5/c1-30-17-10-13(8-14(22)19(17)31-11-18(23)27)21(29)25-15-9-12(20(24)28)4-5-16(15)26-6-2-3-7-26/h4-5,8-10H,2-3,6-7,11H2,1H3,(H2,23,27)(H2,24,28)(H,25,29)
InChIKeyZVIDQZQPOATOQJ-UHFFFAOYSA-N
MW446.89 g/mol
LogP2.16
Rot. Bonds8

About 4-(2-amino-2-oxoethoxy)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-3-chloro-5-methoxybenzamide

4-(2-amino-2-oxoethoxy)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-3-chloro-5-methoxybenzamide (PubChem CID 24614219) has the molecular formula C21H23ClN4O5 and a molecular weight of 446.89 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-3-chloro-5-methoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-3-chloro-5-methoxybenzamide
PubChem CID24614219
Molecular FormulaC21H23ClN4O5
Molecular Weight446.89 g/mol
Exact Mass446.14
IUPAC Name4-(2-amino-2-oxoethoxy)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-3-chloro-5-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C21H23ClN4O5/c1-30-17-10-13(8-14(22)19(17)31-11-18(23)27)21(29)25-15-9-12(20(24)28)4-5-16(15)26-6-2-3-7-26/h4-5,8-10H,2-3,6-7,11H2,1H3,(H2,23,27)(H2,24,28)(H,25,29)
InChIKeyZVIDQZQPOATOQJ-UHFFFAOYSA-N
XLogP2.16
TPSA136.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.89
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoylamino]-4-piperidin-1-ylbenzamide
CID 55554073
3-chloro-4,5-dimethoxy-N-(2-piperidin-1-ylphenyl)benzamide
CID 26520153
N-(5-chloro-2-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 2569806
3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-4-piperidin-1-ylbenzamide
CID 30778979
methyl 3-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]amino]-4-chlorobenzoate
CID 55429549
3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17470127
4-(2-amino-2-oxoethoxy)-3-chloro-N-(2-fluoro-5-methylphenyl)-5-methoxybenzamide
CID 42475729
3,4,5-trimethoxy-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4850008
4-(2-amino-2-oxoethoxy)-N-(5-chloro-2-methoxyphenyl)-3,5-dimethoxybenzamide
CID 17470265
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 55893304
methyl 3-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-morpholin-4-ylbenzoate
CID 17336629
4-(2-amino-2-oxoethoxy)-3-chloro-N-(3-hydroxy-2-pyridinyl)-5-methoxybenzamide
CID 29476148

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-3-chloro-5-methoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-3-chloro-5-methoxybenzamide (CID 24614219) is 4-(2-amino-2-oxoethoxy)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-3-chloro-5-methoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-3-chloro-5-methoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-3-chloro-5-methoxybenzamide is COc1cc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-3-chloro-5-methoxybenzamide?
The InChIKey is ZVIDQZQPOATOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O5/c1-30-17-10-13(8-14(22)19(17)31-11-18(23)27)21(29)25-15-9-12(20(24)28)4-5-16(15)26-6-2-3-7-26/h4-5,8-10H,2-3,6-7,11H2,1H3,(H2,23,27)(H2,24,28)(H,25,29).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-3-chloro-5-methoxybenzamide?
4-(2-amino-2-oxoethoxy)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-3-chloro-5-methoxybenzamide has a molecular weight of 446.89 g/mol, XLogP of 2.16, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-3-chloro-5-methoxybenzamide is sourced from PubChem (CID 24614219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).