N-[(1R,3S)-3-(3-chloro-4-cyanophenoxy)cyclopentyl]-4-methylbenzamide

C20H19ClN2O2 — CID 170390702

IUPACN-[(1R,3S)-3-(3-chloro-4-cyanophenoxy)cyclopentyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@@H]2CC[C@H](Oc3ccc(C#N)c(Cl)c3)C2)cc1
InChIInChI=1S/C20H19ClN2O2/c1-13-2-4-14(5-3-13)20(24)23-16-7-9-17(10-16)25-18-8-6-15(12-22)19(21)11-18/h2-6,8,11,16-17H,7,9-10H2,1H3,(H,23,24)/t16-,17+/m1/s1
InChIKeySIFCECPNANZZRA-SJORKVTESA-N
MW354.84 g/mol
LogP4.25
Rot. Bonds4

About N-[(1R,3S)-3-(3-chloro-4-cyanophenoxy)cyclopentyl]-4-methylbenzamide

N-[(1R,3S)-3-(3-chloro-4-cyanophenoxy)cyclopentyl]-4-methylbenzamide (PubChem CID 170390702) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is N-[(1R,3S)-3-(3-chloro-4-cyanophenoxy)cyclopentyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-(3-chloro-4-cyanophenoxy)cyclopentyl]-4-methylbenzamide
PubChem CID170390702
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC NameN-[(1R,3S)-3-(3-chloro-4-cyanophenoxy)cyclopentyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@@H]2CC[C@H](Oc3ccc(C#N)c(Cl)c3)C2)cc1
InChIInChI=1S/C20H19ClN2O2/c1-13-2-4-14(5-3-13)20(24)23-16-7-9-17(10-16)25-18-8-6-15(12-22)19(21)11-18/h2-6,8,11,16-17H,7,9-10H2,1H3,(H,23,24)/t16-,17+/m1/s1
InChIKeySIFCECPNANZZRA-SJORKVTESA-N
XLogP4.25
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-(2-hydroxyethyl)benzamide
CID 169195596
6-tert-butyl-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyridine-3-carboxamide
CID 176795444
5-chloro-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide
CID 155212260
5-bromo-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrimidine-2-carboxamide
CID 155212972
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide
CID 155218483
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-propan-2-ylpyridazine-3-carboxamide
CID 134414170
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-ethyl-5-fluoropyridine-3-carboxamide
CID 135296500
(1E,3Z,5Z,7Z)-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-cyclopentylcycloocta-1,3,5,7-tetraene-1-carboxamide
CID 171070401
tert-butyl 4-[1-[4-[[4-(3-chloro-4-cyanophenoxy)cyclohexyl]carbamoyl]phenyl]piperidin-4-yl]piperazine-1-carboxylate
CID 134414517
methyl 4-[3-[[4-(3-chloro-4-cyanophenoxy)cyclohexyl]carbamoyl]pyrazol-1-yl]cyclohexane-1-carboxylate
CID 155219241
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 134414273
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2-[(3R)-3-formylpyrrolidin-1-yl]pyrimidine-5-carboxamide
CID 134413973

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-(3-chloro-4-cyanophenoxy)cyclopentyl]-4-methylbenzamide?
The IUPAC name of N-[(1R,3S)-3-(3-chloro-4-cyanophenoxy)cyclopentyl]-4-methylbenzamide (CID 170390702) is N-[(1R,3S)-3-(3-chloro-4-cyanophenoxy)cyclopentyl]-4-methylbenzamide.
What is the SMILES notation for N-[(1R,3S)-3-(3-chloro-4-cyanophenoxy)cyclopentyl]-4-methylbenzamide?
The canonical SMILES for N-[(1R,3S)-3-(3-chloro-4-cyanophenoxy)cyclopentyl]-4-methylbenzamide is Cc1ccc(C(=O)N[C@@H]2CC[C@H](Oc3ccc(C#N)c(Cl)c3)C2)cc1.
What is the InChIKey of N-[(1R,3S)-3-(3-chloro-4-cyanophenoxy)cyclopentyl]-4-methylbenzamide?
The InChIKey is SIFCECPNANZZRA-SJORKVTESA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-13-2-4-14(5-3-13)20(24)23-16-7-9-17(10-16)25-18-8-6-15(12-22)19(21)11-18/h2-6,8,11,16-17H,7,9-10H2,1H3,(H,23,24)/t16-,17+/m1/s1.
What are the key properties of N-[(1R,3S)-3-(3-chloro-4-cyanophenoxy)cyclopentyl]-4-methylbenzamide?
N-[(1R,3S)-3-(3-chloro-4-cyanophenoxy)cyclopentyl]-4-methylbenzamide has a molecular weight of 354.84 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-(3-chloro-4-cyanophenoxy)cyclopentyl]-4-methylbenzamide is sourced from PubChem (CID 170390702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).