(1R)-2,2-dichloro-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide

C10H7Cl3FNO — CID 7959731

IUPAC(1R)-2,2-dichloro-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)[C@H]1CC1(Cl)Cl
InChIInChI=1S/C10H7Cl3FNO/c11-7-3-5(1-2-8(7)14)15-9(16)6-4-10(6,12)13/h1-3,6H,4H2,(H,15,16)/t6-/m1/s1
InChIKeyDNEKYKLLOHGEBG-ZCFIWIBFSA-N
MW282.53 g/mol
LogP3.61
Rot. Bonds2

About (1R)-2,2-dichloro-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide

(1R)-2,2-dichloro-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 7959731) has the molecular formula C10H7Cl3FNO and a molecular weight of 282.53 g/mol. Its IUPAC name is (1R)-2,2-dichloro-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-dichloro-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID7959731
Molecular FormulaC10H7Cl3FNO
Molecular Weight282.53 g/mol
Exact Mass280.96
IUPAC Name(1R)-2,2-dichloro-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)[C@H]1CC1(Cl)Cl
InChIInChI=1S/C10H7Cl3FNO/c11-7-3-5(1-2-8(7)14)15-9(16)6-4-10(6,12)13/h1-3,6H,4H2,(H,15,16)/t6-/m1/s1
InChIKeyDNEKYKLLOHGEBG-ZCFIWIBFSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.53
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1S)-2,2-dichloro-N-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 7900097
N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
CID 845055
2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-(2,4-difluoro-3-iodophenyl)benzamide
CID 166988687
N-[5-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorophenyl]cyclohexanecarboxamide
CID 78888966
4-amino-N-(3-chloro-4-fluorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628313
N-(2-amino-3-fluorophenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 166992601
N-[2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]-5,6-difluoropyridine-3-carboxamide
CID 167224847
2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[2,4-difluoro-5-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 134418667
N-(5-acetamido-2,3,4-trifluorophenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 134417873
N-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxobicyclo[3.1.1]heptane-3-carboxamide
CID 11493541
(1S)-2,2-dichloro-N-phenylcyclopropane-1-carboxamide
CID 7946169
2,2-dichloro-N-(3-chloro-4-fluorophenyl)-1-methylcyclopropane-1-carboxamide
CID 42910446

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dichloro-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-dichloro-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide (CID 7959731) is (1R)-2,2-dichloro-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-dichloro-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-dichloro-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CC1(Cl)Cl.
What is the InChIKey of (1R)-2,2-dichloro-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is DNEKYKLLOHGEBG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H7Cl3FNO/c11-7-3-5(1-2-8(7)14)15-9(16)6-4-10(6,12)13/h1-3,6H,4H2,(H,15,16)/t6-/m1/s1.
What are the key properties of (1R)-2,2-dichloro-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide?
(1R)-2,2-dichloro-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 282.53 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dichloro-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 7959731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).