1-[(2R)-butan-2-yl]-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-ethylurea

C19H26ClN3O — CID 7360584

IUPAC1-[(2R)-butan-2-yl]-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-ethylurea
SMILESCCNC(=O)N(Cc1cccn1Cc1ccccc1Cl)[C@H](C)CC
InChIInChI=1S/C19H26ClN3O/c1-4-15(3)23(19(24)21-5-2)14-17-10-8-12-22(17)13-16-9-6-7-11-18(16)20/h6-12,15H,4-5,13-14H2,1-3H3,(H,21,24)/t15-/m1/s1
InChIKeyCLBFWXPSYOYJRK-OAHLLOKOSA-N
MW347.89 g/mol
LogP4.52
Rot. Bonds7

About 1-[(2R)-butan-2-yl]-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-ethylurea

1-[(2R)-butan-2-yl]-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-ethylurea (PubChem CID 7360584) has the molecular formula C19H26ClN3O and a molecular weight of 347.89 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-ethylurea.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-ethylurea
PubChem CID7360584
Molecular FormulaC19H26ClN3O
Molecular Weight347.89 g/mol
Exact Mass347.18
IUPAC Name1-[(2R)-butan-2-yl]-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-ethylurea
SMILESCCNC(=O)N(Cc1cccn1Cc1ccccc1Cl)[C@H](C)CC
InChIInChI=1S/C19H26ClN3O/c1-4-15(3)23(19(24)21-5-2)14-17-10-8-12-22(17)13-16-9-6-7-11-18(16)20/h6-12,15H,4-5,13-14H2,1-3H3,(H,21,24)/t15-/m1/s1
InChIKeyCLBFWXPSYOYJRK-OAHLLOKOSA-N
XLogP4.52
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2R)-butan-2-yl]-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-ethylurea with MolForge

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Related Compounds

(2S)-N-[(2R)-butan-2-yl]-2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]propanamide
CID 7330620
N-[(2R)-butan-2-yl]-3-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 7259451
N-[(2S)-butan-2-yl]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclobutanecarboxamide
CID 7347853
2-[acetyl(butan-2-yl)amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide
CID 4691678
2-[benzylcarbamoyl(butan-2-yl)amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexylacetamide
CID 3523130
3-butyl-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-(2-methylpropyl)urea
CID 5110049
2-[butan-2-yl-[(3-methylphenyl)carbamoyl]amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide
CID 4006632
N-butyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 3570217
2,2-dichloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide
CID 4020577
2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)propanamide
CID 5029187
N-butan-2-yl-N-[2-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]pentanamide
CID 3970060
2-[butan-2-yl-[(2-methoxyphenyl)carbamoyl]amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexylacetamide
CID 42769487

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-ethylurea?
The IUPAC name of 1-[(2R)-butan-2-yl]-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-ethylurea (CID 7360584) is 1-[(2R)-butan-2-yl]-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-ethylurea.
What is the SMILES notation for 1-[(2R)-butan-2-yl]-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-ethylurea?
The canonical SMILES for 1-[(2R)-butan-2-yl]-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-ethylurea is CCNC(=O)N(Cc1cccn1Cc1ccccc1Cl)[C@H](C)CC.
What is the InChIKey of 1-[(2R)-butan-2-yl]-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-ethylurea?
The InChIKey is CLBFWXPSYOYJRK-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26ClN3O/c1-4-15(3)23(19(24)21-5-2)14-17-10-8-12-22(17)13-16-9-6-7-11-18(16)20/h6-12,15H,4-5,13-14H2,1-3H3,(H,21,24)/t15-/m1/s1.
What are the key properties of 1-[(2R)-butan-2-yl]-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-ethylurea?
1-[(2R)-butan-2-yl]-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-ethylurea has a molecular weight of 347.89 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-ethylurea is sourced from PubChem (CID 7360584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).