4-chloro-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-propan-2-ylbenzamide

C17H21ClN2O2 — CID 94141178

IUPAC4-chloro-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Cl)c(NC(=O)C[C@@H]2C=CCC2)c1
InChIInChI=1S/C17H21ClN2O2/c1-11(2)19-17(22)13-7-8-14(18)15(10-13)20-16(21)9-12-5-3-4-6-12/h3,5,7-8,10-12H,4,6,9H2,1-2H3,(H,19,22)(H,20,21)/t12-/m1/s1
InChIKeyAVBLKJSTJLCQIJ-GFCCVEGCSA-N
MW320.82 g/mol
LogP3.77
Rot. Bonds5

About 4-chloro-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-propan-2-ylbenzamide

4-chloro-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-propan-2-ylbenzamide (PubChem CID 94141178) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is 4-chloro-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-propan-2-ylbenzamide
PubChem CID94141178
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name4-chloro-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Cl)c(NC(=O)C[C@@H]2C=CCC2)c1
InChIInChI=1S/C17H21ClN2O2/c1-11(2)19-17(22)13-7-8-14(18)15(10-13)20-16(21)9-12-5-3-4-6-12/h3,5,7-8,10-12H,4,6,9H2,1-2H3,(H,19,22)(H,20,21)/t12-/m1/s1
InChIKeyAVBLKJSTJLCQIJ-GFCCVEGCSA-N
XLogP3.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-chloro-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-propan-2-ylbenzamide (CID 94141178) is 4-chloro-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-chloro-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-chloro-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(Cl)c(NC(=O)C[C@@H]2C=CCC2)c1.
What is the InChIKey of 4-chloro-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is AVBLKJSTJLCQIJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c1-11(2)19-17(22)13-7-8-14(18)15(10-13)20-16(21)9-12-5-3-4-6-12/h3,5,7-8,10-12H,4,6,9H2,1-2H3,(H,19,22)(H,20,21)/t12-/m1/s1.
What are the key properties of 4-chloro-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-propan-2-ylbenzamide?
4-chloro-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 320.82 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 94141178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).