N-(5-chloro-2-phenoxyphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide

C23H20ClNO3 — CID 84569153

IUPACN-(5-chloro-2-phenoxyphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2CC2C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1
InChIInChI=1S/C23H20ClNO3/c1-27-17-10-7-15(8-11-17)19-14-20(19)23(26)25-21-13-16(24)9-12-22(21)28-18-5-3-2-4-6-18/h2-13,19-20H,14H2,1H3,(H,25,26)
InChIKeyCAWYGHVVPOSOIE-UHFFFAOYSA-N
MW393.87 g/mol
LogP5.88
Rot. Bonds6

About N-(5-chloro-2-phenoxyphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide

N-(5-chloro-2-phenoxyphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 84569153) has the molecular formula C23H20ClNO3 and a molecular weight of 393.87 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID84569153
Molecular FormulaC23H20ClNO3
Molecular Weight393.87 g/mol
Exact Mass393.11
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2CC2C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1
InChIInChI=1S/C23H20ClNO3/c1-27-17-10-7-15(8-11-17)19-14-20(19)23(26)25-21-13-16(24)9-12-22(21)28-18-5-3-2-4-6-18/h2-13,19-20H,14H2,1H3,(H,25,26)
InChIKeyCAWYGHVVPOSOIE-UHFFFAOYSA-N
XLogP5.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.87
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methoxyphenyl)-2-phenylcyclopropane-1-carboxamide
CID 86857978
trans-(1R,2R)-N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 887653
2-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 84569198
cis-(1S,2R)-N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 868729
methyl 4-chloro-3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]benzoate
CID 84569184
N'-(5-chloro-2-methoxyphenyl)-N-(2-phenoxyphenyl)oxamide
CID 108987184
(3S)-1-(benzenesulfonyl)-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]piperidine-3-carboxamide
CID 100662079
3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid
CID 84569190
1-N-(5-chloro-2-methylphenyl)-2-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143056
N-[2-methoxy-4-[3-methoxy-4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 3698096
6-[(5-chloro-2-methoxyphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 6469206
cis-(1R,2S)-2-benzyl-N-(5-chloro-2-methoxyphenyl)cyclopropane-1-carboxamide
CID 158550362

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide (CID 84569153) is N-(5-chloro-2-phenoxyphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccc(C2CC2C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is CAWYGHVVPOSOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO3/c1-27-17-10-7-15(8-11-17)19-14-20(19)23(26)25-21-13-16(24)9-12-22(21)28-18-5-3-2-4-6-18/h2-13,19-20H,14H2,1H3,(H,25,26).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
N-(5-chloro-2-phenoxyphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 393.87 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 84569153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).