(2R)-N-(1H-benzimidazol-2-yl)-2-(4-chlorophenoxy)propanamide

C16H14ClN3O2 — CID 2089424

IUPAC(2R)-N-(1H-benzimidazol-2-yl)-2-(4-chlorophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C16H14ClN3O2/c1-10(22-12-8-6-11(17)7-9-12)15(21)20-16-18-13-4-2-3-5-14(13)19-16/h2-10H,1H3,(H2,18,19,20,21)/t10-/m1/s1
InChIKeyDHOFXKDQSOOIHQ-SNVBAGLBSA-N
MW315.76 g/mol
LogP3.62
Rot. Bonds4

About (2R)-N-(1H-benzimidazol-2-yl)-2-(4-chlorophenoxy)propanamide

(2R)-N-(1H-benzimidazol-2-yl)-2-(4-chlorophenoxy)propanamide (PubChem CID 2089424) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is (2R)-N-(1H-benzimidazol-2-yl)-2-(4-chlorophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(1H-benzimidazol-2-yl)-2-(4-chlorophenoxy)propanamide
PubChem CID2089424
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name(2R)-N-(1H-benzimidazol-2-yl)-2-(4-chlorophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C16H14ClN3O2/c1-10(22-12-8-6-11(17)7-9-12)15(21)20-16-18-13-4-2-3-5-14(13)19-16/h2-10H,1H3,(H2,18,19,20,21)/t10-/m1/s1
InChIKeyDHOFXKDQSOOIHQ-SNVBAGLBSA-N
XLogP3.62
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-yl)-2-(2-cyanophenoxy)propanamide
CID 46596655
N-(1H-benzimidazol-2-yl)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-methylpentanamide
CID 53199805
N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 43002570
(2R)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(4-chlorophenoxy)propanamide
CID 2492250
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865
(2S,3S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide
CID 63565253
(2R)-2-(4-chlorophenoxy)-N-(2,6-dichlorophenyl)propanamide
CID 124506694
(2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenoxypropanamide
CID 1365329
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(3,4-dichlorophenoxy)propanamide
CID 60509750
N-(1H-benzimidazol-2-yl)-2-[[2-(2-chlorophenyl)acetyl]amino]-3-methylbutanamide
CID 53199759
2-(4-chlorophenoxy)-N-pyridin-2-ylpropanamide
CID 51193962
N-(1H-benzimidazol-2-yl)-2-methylpentanamide
CID 60629405

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1H-benzimidazol-2-yl)-2-(4-chlorophenoxy)propanamide?
The IUPAC name of (2R)-N-(1H-benzimidazol-2-yl)-2-(4-chlorophenoxy)propanamide (CID 2089424) is (2R)-N-(1H-benzimidazol-2-yl)-2-(4-chlorophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(1H-benzimidazol-2-yl)-2-(4-chlorophenoxy)propanamide?
The canonical SMILES for (2R)-N-(1H-benzimidazol-2-yl)-2-(4-chlorophenoxy)propanamide is C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of (2R)-N-(1H-benzimidazol-2-yl)-2-(4-chlorophenoxy)propanamide?
The InChIKey is DHOFXKDQSOOIHQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-10(22-12-8-6-11(17)7-9-12)15(21)20-16-18-13-4-2-3-5-14(13)19-16/h2-10H,1H3,(H2,18,19,20,21)/t10-/m1/s1.
What are the key properties of (2R)-N-(1H-benzimidazol-2-yl)-2-(4-chlorophenoxy)propanamide?
(2R)-N-(1H-benzimidazol-2-yl)-2-(4-chlorophenoxy)propanamide has a molecular weight of 315.76 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1H-benzimidazol-2-yl)-2-(4-chlorophenoxy)propanamide is sourced from PubChem (CID 2089424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).