1-(3-chloro-2-methylphenyl)-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]urea

C16H24ClN3O — CID 52524542

IUPAC1-(3-chloro-2-methylphenyl)-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]urea
SMILESCc1c(Cl)cccc1NC(=O)NC[C@H]1CCN(C(C)C)C1
InChIInChI=1S/C16H24ClN3O/c1-11(2)20-8-7-13(10-20)9-18-16(21)19-15-6-4-5-14(17)12(15)3/h4-6,11,13H,7-10H2,1-3H3,(H2,18,19,21)/t13-/m1/s1
InChIKeyPDKGVZNCHSRYOQ-CYBMUJFWSA-N
MW309.84 g/mol
LogP3.50
Rot. Bonds4

About 1-(3-chloro-2-methylphenyl)-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]urea

1-(3-chloro-2-methylphenyl)-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]urea (PubChem CID 52524542) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]urea
PubChem CID52524542
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name1-(3-chloro-2-methylphenyl)-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]urea
SMILESCc1c(Cl)cccc1NC(=O)NC[C@H]1CCN(C(C)C)C1
InChIInChI=1S/C16H24ClN3O/c1-11(2)20-8-7-13(10-20)9-18-16(21)19-15-6-4-5-14(17)12(15)3/h4-6,11,13H,7-10H2,1-3H3,(H2,18,19,21)/t13-/m1/s1
InChIKeyPDKGVZNCHSRYOQ-CYBMUJFWSA-N
XLogP3.50
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-2-methylphenyl)-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]urea with MolForge

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Related Compounds

1-(4-methylphenyl)-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea
CID 47455465
N-(3-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110880139
1-(2-methoxyphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
CID 94800132
N-benzyl-1-[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 25494160
1-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443547
2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114438
3-[1-[1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidin-3-yl]propanoic acid
CID 122101242
2,3-dihydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 114344239
1-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-3-(3-pyrrolidin-1-ylphenyl)urea
CID 95150446
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
2-amino-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 61207718
2-hydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51094816

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]urea (CID 52524542) is 1-(3-chloro-2-methylphenyl)-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]urea is Cc1c(Cl)cccc1NC(=O)NC[C@H]1CCN(C(C)C)C1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]urea?
The InChIKey is PDKGVZNCHSRYOQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-11(2)20-8-7-13(10-20)9-18-16(21)19-15-6-4-5-14(17)12(15)3/h4-6,11,13H,7-10H2,1-3H3,(H2,18,19,21)/t13-/m1/s1.
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]urea?
1-(3-chloro-2-methylphenyl)-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]urea has a molecular weight of 309.84 g/mol, XLogP of 3.50, 4 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-propan-2-ylpyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 52524542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).