(2R,4R)-4-hydroxy-N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride

C20H24ClN3O3 — CID 154889286

IUPAC(2R,4R)-4-hydroxy-N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1cccc(CNC(=O)c2ccccc2NC(=O)[C@H]2C[C@@H](O)CN2)c1.Cl
InChIInChI=1S/C20H23N3O3.ClH/c1-13-5-4-6-14(9-13)11-22-19(25)16-7-2-3-8-17(16)23-20(26)18-10-15(24)12-21-18;/h2-9,15,18,21,24H,10-12H2,1H3,(H,22,25)(H,23,26);1H/t15-,18-;/m1./s1
InChIKeyPOBFSDCXZJUCLE-KQKCUOLZSA-N
MW389.88 g/mol
LogP2.01
Rot. Bonds5

About (2R,4R)-4-hydroxy-N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride

(2R,4R)-4-hydroxy-N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 154889286) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID154889286
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name(2R,4R)-4-hydroxy-N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1cccc(CNC(=O)c2ccccc2NC(=O)[C@H]2C[C@@H](O)CN2)c1.Cl
InChIInChI=1S/C20H23N3O3.ClH/c1-13-5-4-6-14(9-13)11-22-19(25)16-7-2-3-8-17(16)23-20(26)18-10-15(24)12-21-18;/h2-9,15,18,21,24H,10-12H2,1H3,(H,22,25)(H,23,26);1H/t15-,18-;/m1./s1
InChIKeyPOBFSDCXZJUCLE-KQKCUOLZSA-N
XLogP2.01
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 95119935
N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 50949083
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
2-[(2-cyanoacetyl)amino]-N-[(3-methylphenyl)methyl]benzamide
CID 168520890
N-[(3-methylphenyl)methyl]-2-(propan-2-ylamino)benzamide
CID 63107843
N-(2,4-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120810
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119842520
(2S,4R)-4-hydroxy-N-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 170699848
N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679402
4-hydroxy-N-[2-methyl-2-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119756992
2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide
CID 114343999
2-(2,3-dihydroxypropylamino)-N-[(3-methylphenyl)methyl]benzamide
CID 168597571

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R,4R)-4-hydroxy-N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride (CID 154889286) is (2R,4R)-4-hydroxy-N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R,4R)-4-hydroxy-N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R,4R)-4-hydroxy-N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride is Cc1cccc(CNC(=O)c2ccccc2NC(=O)[C@H]2C[C@@H](O)CN2)c1.Cl.
What is the InChIKey of (2R,4R)-4-hydroxy-N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is POBFSDCXZJUCLE-KQKCUOLZSA-N. The full InChI is InChI=1S/C20H23N3O3.ClH/c1-13-5-4-6-14(9-13)11-22-19(25)16-7-2-3-8-17(16)23-20(26)18-10-15(24)12-21-18;/h2-9,15,18,21,24H,10-12H2,1H3,(H,22,25)(H,23,26);1H/t15-,18-;/m1./s1.
What are the key properties of (2R,4R)-4-hydroxy-N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride?
(2R,4R)-4-hydroxy-N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 389.88 g/mol, XLogP of 2.01, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 154889286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).