cis-(1S,2R)-N-[3-(carbamoylamino)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide

C17H16ClN3O2 — CID 95979513

IUPACcis-(1S,2R)-N-[3-(carbamoylamino)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide
SMILESNC(=O)Nc1cccc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H16ClN3O2/c18-11-6-4-10(5-7-11)14-9-15(14)16(22)20-12-2-1-3-13(8-12)21-17(19)23/h1-8,14-15H,9H2,(H,20,22)(H3,19,21,23)/t14-,15-/m0/s1
InChIKeyYBUSMTNAXHOJMZ-GJZGRUSLSA-N
MW329.79 g/mol
LogP3.57
Rot. Bonds4

About cis-(1S,2R)-N-[3-(carbamoylamino)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide

cis-(1S,2R)-N-[3-(carbamoylamino)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 95979513) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is cis-(1S,2R)-N-[3-(carbamoylamino)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[3-(carbamoylamino)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide
PubChem CID95979513
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Namecis-(1S,2R)-N-[3-(carbamoylamino)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide
SMILESNC(=O)Nc1cccc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H16ClN3O2/c18-11-6-4-10(5-7-11)14-9-15(14)16(22)20-12-2-1-3-13(8-12)21-17(19)23/h1-8,14-15H,9H2,(H,20,22)(H3,19,21,23)/t14-,15-/m0/s1
InChIKeyYBUSMTNAXHOJMZ-GJZGRUSLSA-N
XLogP3.57
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide
CID 792382
2-(4-chlorophenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropane-1-carboxamide
CID 75370009
cis-(1S,2R)-N-[[3-(carbamoylamino)phenyl]methyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 95050916
N-(3-hydroxyphenyl)-2-phenylcyclopropane-1-carboxamide
CID 81445768
trans-(1R,2R)-2-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 843468
cis-(1R,2S)-N-(3-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide
CID 96564776
2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 23027092
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 88976035
cis-(1S,2R)-2-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 95760685
1-[[(1S,2S)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-3-(3-methoxyphenyl)thiourea
CID 998891
trans-(1R,2R)-2-(3,5-dichlorophenyl)-N-(3-nitrophenyl)cyclopropane-1-carboxamide
CID 96564704
2-amino-N-[3-(carbamoylamino)phenyl]cyclopentane-1-carboxamide
CID 64822966

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[3-(carbamoylamino)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[3-(carbamoylamino)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide (CID 95979513) is cis-(1S,2R)-N-[3-(carbamoylamino)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[3-(carbamoylamino)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[3-(carbamoylamino)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide is NC(=O)Nc1cccc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)c1.
What is the InChIKey of cis-(1S,2R)-N-[3-(carbamoylamino)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is YBUSMTNAXHOJMZ-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c18-11-6-4-10(5-7-11)14-9-15(14)16(22)20-12-2-1-3-13(8-12)21-17(19)23/h1-8,14-15H,9H2,(H,20,22)(H3,19,21,23)/t14-,15-/m0/s1.
What are the key properties of cis-(1S,2R)-N-[3-(carbamoylamino)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide?
cis-(1S,2R)-N-[3-(carbamoylamino)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 329.79 g/mol, XLogP of 3.57, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[3-(carbamoylamino)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95979513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).