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

C18H18ClN3O2 — CID 95050916

IUPACcis-(1S,2R)-N-[[3-(carbamoylamino)phenyl]methyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
SMILESNC(=O)Nc1cccc(CNC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)c1
InChIInChI=1S/C18H18ClN3O2/c19-13-5-2-4-12(8-13)15-9-16(15)17(23)21-10-11-3-1-6-14(7-11)22-18(20)24/h1-8,15-16H,9-10H2,(H,21,23)(H3,20,22,24)/t15-,16-/m0/s1
InChIKeyZNAKTTNXSSITHE-HOTGVXAUSA-N
MW343.81 g/mol
LogP3.25
Rot. Bonds5

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

cis-(1S,2R)-N-[[3-(carbamoylamino)phenyl]methyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 95050916) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is cis-(1S,2R)-N-[[3-(carbamoylamino)phenyl]methyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[[3-(carbamoylamino)phenyl]methyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
PubChem CID95050916
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Namecis-(1S,2R)-N-[[3-(carbamoylamino)phenyl]methyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
SMILESNC(=O)Nc1cccc(CNC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)c1
InChIInChI=1S/C18H18ClN3O2/c19-13-5-2-4-12(8-13)15-9-16(15)17(23)21-10-11-3-1-6-14(7-11)22-18(20)24/h1-8,15-16H,9-10H2,(H,21,23)(H3,20,22,24)/t15-,16-/m0/s1
InChIKeyZNAKTTNXSSITHE-HOTGVXAUSA-N
XLogP3.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-N-[3-(carbamoylamino)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 95979513
cis-(1R,2S)-N-benzyl-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 96564457
trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide
CID 792382
cis-(1S,2R)-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 99777919
2-(3-chlorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
CID 119501592
trans-(1S,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 131139995
2-(3-chlorophenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 49159046
2-(3-chlorophenyl)-N-[2-(ethylamino)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119506444
trans-(1R,2R)-2-(3-chlorophenyl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide
CID 95764847
trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 887980
3-[[[(1S,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide
CID 32637303
2-(3-chlorophenyl)-N-[2-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 120829453

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[[3-(carbamoylamino)phenyl]methyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[[3-(carbamoylamino)phenyl]methyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide (CID 95050916) is cis-(1S,2R)-N-[[3-(carbamoylamino)phenyl]methyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[[3-(carbamoylamino)phenyl]methyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[[3-(carbamoylamino)phenyl]methyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide is NC(=O)Nc1cccc(CNC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)c1.
What is the InChIKey of cis-(1S,2R)-N-[[3-(carbamoylamino)phenyl]methyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is ZNAKTTNXSSITHE-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c19-13-5-2-4-12(8-13)15-9-16(15)17(23)21-10-11-3-1-6-14(7-11)22-18(20)24/h1-8,15-16H,9-10H2,(H,21,23)(H3,20,22,24)/t15-,16-/m0/s1.
What are the key properties of cis-(1S,2R)-N-[[3-(carbamoylamino)phenyl]methyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide?
cis-(1S,2R)-N-[[3-(carbamoylamino)phenyl]methyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 343.81 g/mol, XLogP of 3.25, 5 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]methyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95050916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).