cis-(1S,2R)-N-[3-(4-chloro-2-methylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

C15H19ClN2O2 — CID 38741503

IUPACcis-(1S,2R)-N-[3-(4-chloro-2-methylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)CCNC(=O)[C@H]1C[C@H]1C
InChIInChI=1S/C15H19ClN2O2/c1-9-8-12(9)15(20)17-6-5-14(19)18-13-4-3-11(16)7-10(13)2/h3-4,7,9,12H,5-6,8H2,1-2H3,(H,17,20)(H,18,19)/t9-,12+/m1/s1
InChIKeyXANQLHBCSDUOJI-SKDRFNHKSA-N
MW294.78 g/mol
LogP2.75
Rot. Bonds5

About cis-(1S,2R)-N-[3-(4-chloro-2-methylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

cis-(1S,2R)-N-[3-(4-chloro-2-methylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 38741503) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is cis-(1S,2R)-N-[3-(4-chloro-2-methylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[3-(4-chloro-2-methylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
PubChem CID38741503
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Namecis-(1S,2R)-N-[3-(4-chloro-2-methylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)CCNC(=O)[C@H]1C[C@H]1C
InChIInChI=1S/C15H19ClN2O2/c1-9-8-12(9)15(20)17-6-5-14(19)18-13-4-3-11(16)7-10(13)2/h3-4,7,9,12H,5-6,8H2,1-2H3,(H,17,20)(H,18,19)/t9-,12+/m1/s1
InChIKeyXANQLHBCSDUOJI-SKDRFNHKSA-N
XLogP2.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-N-[3-(5-bromo-3-chloro-2-hydroxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 97091548
2-[[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976520
4-(4-chloro-2-methylanilino)-4-oxobutanoic acid
CID 731480
4-chloro-3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]-N-propan-2-ylbenzamide
CID 47062886
N-(4-chloro-2-methylphenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035866
trans-(1R,2R)-N-[3-(3-acetylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 39895698
trans-(1R,2R)-N-[3-(3-chloro-4-pyrrolidin-1-ylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 95294533
5-(carbamoylamino)-N-(4-chloro-2-methylphenyl)pentanamide
CID 47114643
3-(4-bromo-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038531
N-(4-chloro-2-methylphenyl)-3-(3-methylbutylamino)propanamide
CID 109032034
N-(4-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014572
1-N-(4-chloro-2-methylphenyl)-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[3-(4-chloro-2-methylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[3-(4-chloro-2-methylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (CID 38741503) is cis-(1S,2R)-N-[3-(4-chloro-2-methylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[3-(4-chloro-2-methylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[3-(4-chloro-2-methylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is Cc1cc(Cl)ccc1NC(=O)CCNC(=O)[C@H]1C[C@H]1C.
What is the InChIKey of cis-(1S,2R)-N-[3-(4-chloro-2-methylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is XANQLHBCSDUOJI-SKDRFNHKSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-9-8-12(9)15(20)17-6-5-14(19)18-13-4-3-11(16)7-10(13)2/h3-4,7,9,12H,5-6,8H2,1-2H3,(H,17,20)(H,18,19)/t9-,12+/m1/s1.
What are the key properties of cis-(1S,2R)-N-[3-(4-chloro-2-methylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-[3-(4-chloro-2-methylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 294.78 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[3-(4-chloro-2-methylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 38741503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).