(2R)-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide

C23H26ClN3O4 — CID 95276109

IUPAC(2R)-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc([C@H]2CCCN2C(=O)Nc2ccc(C(=O)NC3CC3)c(Cl)c2)c(OC)c1
InChIInChI=1S/C23H26ClN3O4/c1-30-16-8-10-18(21(13-16)31-2)20-4-3-11-27(20)23(29)26-15-7-9-17(19(24)12-15)22(28)25-14-5-6-14/h7-10,12-14,20H,3-6,11H2,1-2H3,(H,25,28)(H,26,29)/t20-/m1/s1
InChIKeyVHSBYJYRDNATRL-HXUWFJFHSA-N
MW443.93 g/mol
LogP4.62
Rot. Bonds6

About (2R)-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide

(2R)-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 95276109) has the molecular formula C23H26ClN3O4 and a molecular weight of 443.93 g/mol. Its IUPAC name is (2R)-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID95276109
Molecular FormulaC23H26ClN3O4
Molecular Weight443.93 g/mol
Exact Mass443.16
IUPAC Name(2R)-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc([C@H]2CCCN2C(=O)Nc2ccc(C(=O)NC3CC3)c(Cl)c2)c(OC)c1
InChIInChI=1S/C23H26ClN3O4/c1-30-16-8-10-18(21(13-16)31-2)20-4-3-11-27(20)23(29)26-15-7-9-17(19(24)12-15)22(28)25-14-5-6-14/h7-10,12-14,20H,3-6,11H2,1-2H3,(H,25,28)(H,26,29)/t20-/m1/s1
InChIKeyVHSBYJYRDNATRL-HXUWFJFHSA-N
XLogP4.62
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.93
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2,4-dimethoxyphenyl)-N-(4-nitrophenyl)pyrrolidine-1-carboxamide
CID 39972982
N-(3,5-difluoro-4-methoxyphenyl)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 60543433
(2S)-N-cyclopropyl-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbothioamide
CID 9283512
(2R)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 92800272
(2S)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 92800271
2,4-dichloro-N-[2-[[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 55440910
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
N-(3-acetylphenyl)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 55697171
2-(2,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)pyrrolidine-1-carboxamide
CID 51111508
(2S)-2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 30238687
2-chloro-N-cyclopropyl-4-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 55805524
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide (CID 95276109) is (2R)-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide is COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(C(=O)NC3CC3)c(Cl)c2)c(OC)c1.
What is the InChIKey of (2R)-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is VHSBYJYRDNATRL-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H26ClN3O4/c1-30-16-8-10-18(21(13-16)31-2)20-4-3-11-27(20)23(29)26-15-7-9-17(19(24)12-15)22(28)25-14-5-6-14/h7-10,12-14,20H,3-6,11H2,1-2H3,(H,25,28)(H,26,29)/t20-/m1/s1.
What are the key properties of (2R)-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide?
(2R)-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 443.93 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95276109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).