cis-(1R,2S)-N-cyclopropyl-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide

C18H21FN2O2 — CID 97221628

IUPACcis-(1R,2S)-N-cyclopropyl-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)C1CC1)NC1CC1
InChIInChI=1S/C18H21FN2O2/c19-12-3-1-11(2-4-12)15-9-16(15)18(23)21(14-7-8-14)10-17(22)20-13-5-6-13/h1-4,13-16H,5-10H2,(H,20,22)/t15-,16-/m1/s1
InChIKeyOUYUZVQHVKUBQS-HZPDHXFCSA-N
MW316.38 g/mol
LogP2.20
Rot. Bonds6

About cis-(1R,2S)-N-cyclopropyl-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide

cis-(1R,2S)-N-cyclopropyl-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 97221628) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is cis-(1R,2S)-N-cyclopropyl-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-cyclopropyl-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID97221628
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Namecis-(1R,2S)-N-cyclopropyl-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)C1CC1)NC1CC1
InChIInChI=1S/C18H21FN2O2/c19-12-3-1-11(2-4-12)15-9-16(15)18(23)21(14-7-8-14)10-17(22)20-13-5-6-13/h1-4,13-16H,5-10H2,(H,20,22)/t15-,16-/m1/s1
InChIKeyOUYUZVQHVKUBQS-HZPDHXFCSA-N
XLogP2.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-cyclopropyl-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-cyclopropyl-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide (CID 97221628) is cis-(1R,2S)-N-cyclopropyl-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-cyclopropyl-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-cyclopropyl-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide is O=C(CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)C1CC1)NC1CC1.
What is the InChIKey of cis-(1R,2S)-N-cyclopropyl-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is OUYUZVQHVKUBQS-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H21FN2O2/c19-12-3-1-11(2-4-12)15-9-16(15)18(23)21(14-7-8-14)10-17(22)20-13-5-6-13/h1-4,13-16H,5-10H2,(H,20,22)/t15-,16-/m1/s1.
What are the key properties of cis-(1R,2S)-N-cyclopropyl-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
cis-(1R,2S)-N-cyclopropyl-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-cyclopropyl-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 97221628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).