cyclopropyl N-[3-[1-(4-chloroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate

C18H21ClN2O3 — CID 146204290

IUPACcyclopropyl N-[3-[1-(4-chloroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate
SMILESCC(C(=O)Nc1ccc(Cl)cc1)C12CC(NC(=O)OC3CC3)(C1)C2
InChIInChI=1S/C18H21ClN2O3/c1-11(15(22)20-13-4-2-12(19)3-5-13)17-8-18(9-17,10-17)21-16(23)24-14-6-7-14/h2-5,11,14H,6-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyYGELABZQWYQRKF-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.73
Rot. Bonds5

About cyclopropyl N-[3-[1-(4-chloroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate

cyclopropyl N-[3-[1-(4-chloroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate (PubChem CID 146204290) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is cyclopropyl N-[3-[1-(4-chloroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate.

Molecular Properties

Compound Namecyclopropyl N-[3-[1-(4-chloroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate
PubChem CID146204290
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Namecyclopropyl N-[3-[1-(4-chloroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate
SMILESCC(C(=O)Nc1ccc(Cl)cc1)C12CC(NC(=O)OC3CC3)(C1)C2
InChIInChI=1S/C18H21ClN2O3/c1-11(15(22)20-13-4-2-12(19)3-5-13)17-8-18(9-17,10-17)21-16(23)24-14-6-7-14/h2-5,11,14H,6-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyYGELABZQWYQRKF-UHFFFAOYSA-N
XLogP3.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cyclopropyl N-[3-[1-(4-chloroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate with MolForge

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Related Compounds

3-chloro-4-fluoro-N-[3-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]benzamide
CID 146198112
[3-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid
CID 146198191
4-chloro-3-fluoro-N-[3-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]benzamide
CID 146198219
(2S)-2-[3-[(3-chlorophenyl)carbamoylamino]-1-bicyclo[1.1.1]pentanyl]-N-(4-fluorophenyl)propanamide
CID 162499057
N-(4-chlorophenyl)-2-iodopropanamide
CID 102547197
(2S)-2-(3-amino-1-bicyclo[1.1.1]pentanyl)-N-(4-fluorophenyl)propanamide
CID 146198128
(2R)-2-amino-N-(4-chlorophenyl)propanamide
CID 7183165
(2S)-N-(4-fluorophenyl)-2-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]-1-bicyclo[1.1.1]pentanyl]propanamide
CID 146198362
(2S)-N-(4-chlorophenyl)-2-cyclopentylsulfanylpropanamide
CID 7398220
N-(4-chlorophenyl)-2-hydroxy-3-methylbutanamide
CID 117059282
propan-2-yl N-(4-chlorophenyl)carbamate
CID 16712
2-chloro-N-(4-chlorophenyl)-3-oxobutanamide
CID 2778503

Frequently Asked Questions

What is the IUPAC name of cyclopropyl N-[3-[1-(4-chloroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate?
The IUPAC name of cyclopropyl N-[3-[1-(4-chloroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate (CID 146204290) is cyclopropyl N-[3-[1-(4-chloroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate.
What is the SMILES notation for cyclopropyl N-[3-[1-(4-chloroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate?
The canonical SMILES for cyclopropyl N-[3-[1-(4-chloroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate is CC(C(=O)Nc1ccc(Cl)cc1)C12CC(NC(=O)OC3CC3)(C1)C2.
What is the InChIKey of cyclopropyl N-[3-[1-(4-chloroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate?
The InChIKey is YGELABZQWYQRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-11(15(22)20-13-4-2-12(19)3-5-13)17-8-18(9-17,10-17)21-16(23)24-14-6-7-14/h2-5,11,14H,6-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of cyclopropyl N-[3-[1-(4-chloroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate?
cyclopropyl N-[3-[1-(4-chloroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate has a molecular weight of 348.83 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl N-[3-[1-(4-chloroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate is sourced from PubChem (CID 146204290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).