N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide

C18H16ClFN2O2 — CID 110625443

IUPACN-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(CNC(=O)C1CC1c1ccccc1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H16ClFN2O2/c19-15-8-12(6-7-16(15)20)22-17(23)10-21-18(24)14-9-13(14)11-4-2-1-3-5-11/h1-8,13-14H,9-10H2,(H,21,24)(H,22,23)
InChIKeyIKYRVUCVDONTMB-UHFFFAOYSA-N
MW346.79 g/mol
LogP3.34
Rot. Bonds5

About N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide

N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 110625443) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID110625443
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC NameN-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(CNC(=O)C1CC1c1ccccc1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H16ClFN2O2/c19-15-8-12(6-7-16(15)20)22-17(23)10-21-18(24)14-9-13(14)11-4-2-1-3-5-11/h1-8,13-14H,9-10H2,(H,21,24)(H,22,23)
InChIKeyIKYRVUCVDONTMB-UHFFFAOYSA-N
XLogP3.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 887980
N-(3-chloro-4-fluorophenyl)-2-phenylacetamide
CID 871803
2-(4-chlorophenyl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]cyclopropane-1-carboxamide
CID 56783038
trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide
CID 792382
3-(benzenesulfonyl)-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]propanamide
CID 110305568
2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 42766016
1-N-(3-chloro-4-fluorophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109134892
N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 108996573
1-N-(3-chloro-4-fluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137252
trans-(1R,2R)-N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 887653
N-[2-(cyclohexylamino)-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide
CID 110625222
N-(2-bromoprop-2-enyl)-2-phenylcyclopropane-1-carboxamide
CID 115594336

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide (CID 110625443) is N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide is O=C(CNC(=O)C1CC1c1ccccc1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is IKYRVUCVDONTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c19-15-8-12(6-7-16(15)20)22-17(23)10-21-18(24)14-9-13(14)11-4-2-1-3-5-11/h1-8,13-14H,9-10H2,(H,21,24)(H,22,23).
What are the key properties of N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide?
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 346.79 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 110625443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).