1-(2,4-difluorophenyl)-3-[[(1S,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]urea

C18H17F2N3O2 — CID 27518691

IUPAC1-(2,4-difluorophenyl)-3-[[(1S,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]urea
SMILESCc1ccc([C@@H]2C[C@@H]2C(=O)NNC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H17F2N3O2/c1-10-2-4-11(5-3-10)13-9-14(13)17(24)22-23-18(25)21-16-7-6-12(19)8-15(16)20/h2-8,13-14H,9H2,1H3,(H,22,24)(H2,21,23,25)/t13-,14-/m0/s1
InChIKeyVLALPGGKAKEWHT-KBPBESRZSA-N
MW345.35 g/mol
LogP3.23
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-[[(1S,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]urea

1-(2,4-difluorophenyl)-3-[[(1S,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]urea (PubChem CID 27518691) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[[(1S,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[[(1S,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]urea
PubChem CID27518691
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC Name1-(2,4-difluorophenyl)-3-[[(1S,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]urea
SMILESCc1ccc([C@@H]2C[C@@H]2C(=O)NNC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H17F2N3O2/c1-10-2-4-11(5-3-10)13-9-14(13)17(24)22-23-18(25)21-16-7-6-12(19)8-15(16)20/h2-8,13-14H,9H2,1H3,(H,22,24)(H2,21,23,25)/t13-,14-/m0/s1
InChIKeyVLALPGGKAKEWHT-KBPBESRZSA-N
XLogP3.23
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 32611358
1-N,2-N-bis(2,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144111
1-(3-methylphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea
CID 843482
ethyl N-[(2,4-difluorophenyl)carbamoylamino]carbamate
CID 51178974
N-(2-bromo-4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide
CID 78971301
N-(2-bromo-4-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 3346016
1-[[(1S,2R)-2-(4-tert-butylphenyl)cyclopropanecarbonyl]amino]-3-(2,4-dimethoxyphenyl)urea
CID 7477348
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
(2S)-N-(2,4-difluorophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 94080873
N'-[2-(4-fluorophenyl)cyclopropanecarbonyl]benzohydrazide
CID 51291955
trans-(1R,2R)-N-(4-acetamido-3-chlorophenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 30461454

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[[(1S,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[[(1S,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]urea (CID 27518691) is 1-(2,4-difluorophenyl)-3-[[(1S,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[[(1S,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[[(1S,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]urea is Cc1ccc([C@@H]2C[C@@H]2C(=O)NNC(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[[(1S,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]urea?
The InChIKey is VLALPGGKAKEWHT-KBPBESRZSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c1-10-2-4-11(5-3-10)13-9-14(13)17(24)22-23-18(25)21-16-7-6-12(19)8-15(16)20/h2-8,13-14H,9H2,1H3,(H,22,24)(H2,21,23,25)/t13-,14-/m0/s1.
What are the key properties of 1-(2,4-difluorophenyl)-3-[[(1S,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]urea?
1-(2,4-difluorophenyl)-3-[[(1S,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]urea has a molecular weight of 345.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[[(1S,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]urea is sourced from PubChem (CID 27518691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).