1-(3-chloro-2-methylphenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea

C19H21ClFN3O — CID 67002034

IUPAC1-(3-chloro-2-methylphenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea
SMILESCc1ccc(N2CC[C@@H](NC(=O)Nc3cccc(Cl)c3C)C2)cc1F
InChIInChI=1S/C19H21ClFN3O/c1-12-6-7-15(10-17(12)21)24-9-8-14(11-24)22-19(25)23-18-5-3-4-16(20)13(18)2/h3-7,10,14H,8-9,11H2,1-2H3,(H2,22,23,25)/t14-/m1/s1
InChIKeyVIGMAJBZKTWVAM-CQSZACIVSA-N
MW361.85 g/mol
LogP4.50
Rot. Bonds3

About 1-(3-chloro-2-methylphenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea

1-(3-chloro-2-methylphenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea (PubChem CID 67002034) has the molecular formula C19H21ClFN3O and a molecular weight of 361.85 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea
PubChem CID67002034
Molecular FormulaC19H21ClFN3O
Molecular Weight361.85 g/mol
Exact Mass361.14
IUPAC Name1-(3-chloro-2-methylphenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea
SMILESCc1ccc(N2CC[C@@H](NC(=O)Nc3cccc(Cl)c3C)C2)cc1F
InChIInChI=1S/C19H21ClFN3O/c1-12-6-7-15(10-17(12)21)24-9-8-14(11-24)22-19(25)23-18-5-3-4-16(20)13(18)2/h3-7,10,14H,8-9,11H2,1-2H3,(H2,22,23,25)/t14-/m1/s1
InChIKeyVIGMAJBZKTWVAM-CQSZACIVSA-N
XLogP4.50
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea
CID 10222094
1-(2-bromophenyl)-3-[1-(4-fluoro-3-methylphenyl)pyrrolidin-3-yl]urea
CID 22327593
N-(3-chloro-2-methylphenyl)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42939717
1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea
CID 95283122
1-(3-chloro-2-methylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970493
3-[[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid
CID 122066406
1-[1-(3-methylphenyl)pyrrolidin-3-yl]-3-naphthalen-1-ylurea
CID 22327579
1-(3-chloro-2-fluorophenyl)-3-(1-phenylpiperidin-4-yl)urea
CID 86830653
1-(3-chloro-2-fluorophenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838702
1-(3-chloro-2-methylphenyl)-3-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7215331
1-(3-chloro-2-methylphenyl)-3-(oxolan-3-yl)urea
CID 115758945
1-(3-chloro-2-methylphenyl)-3-(5-chloro-2-methylphenyl)urea
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea (CID 67002034) is 1-(3-chloro-2-methylphenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea is Cc1ccc(N2CC[C@@H](NC(=O)Nc3cccc(Cl)c3C)C2)cc1F.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea?
The InChIKey is VIGMAJBZKTWVAM-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21ClFN3O/c1-12-6-7-15(10-17(12)21)24-9-8-14(11-24)22-19(25)23-18-5-3-4-16(20)13(18)2/h3-7,10,14H,8-9,11H2,1-2H3,(H2,22,23,25)/t14-/m1/s1.
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea?
1-(3-chloro-2-methylphenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea has a molecular weight of 361.85 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 67002034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).