3-chloro-N-(2,2-dimethylcyclopropyl)-4-(3-hydroxyprop-1-ynyl)benzamide

C15H16ClNO2 — CID 81295895

IUPAC3-chloro-N-(2,2-dimethylcyclopropyl)-4-(3-hydroxyprop-1-ynyl)benzamide
SMILESCC1(C)CC1NC(=O)c1ccc(C#CCO)c(Cl)c1
InChIInChI=1S/C15H16ClNO2/c1-15(2)9-13(15)17-14(19)11-6-5-10(4-3-7-18)12(16)8-11/h5-6,8,13,18H,7,9H2,1-2H3,(H,17,19)
InChIKeyIBVZPUGFDSKPRD-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.21
Rot. Bonds2

About 3-chloro-N-(2,2-dimethylcyclopropyl)-4-(3-hydroxyprop-1-ynyl)benzamide

3-chloro-N-(2,2-dimethylcyclopropyl)-4-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 81295895) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-chloro-N-(2,2-dimethylcyclopropyl)-4-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2,2-dimethylcyclopropyl)-4-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID81295895
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name3-chloro-N-(2,2-dimethylcyclopropyl)-4-(3-hydroxyprop-1-ynyl)benzamide
SMILESCC1(C)CC1NC(=O)c1ccc(C#CCO)c(Cl)c1
InChIInChI=1S/C15H16ClNO2/c1-15(2)9-13(15)17-14(19)11-6-5-10(4-3-7-18)12(16)8-11/h5-6,8,13,18H,7,9H2,1-2H3,(H,17,19)
InChIKeyIBVZPUGFDSKPRD-UHFFFAOYSA-N
XLogP2.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-(3-hydroxyprop-1-ynyl)-N-(3-methylcyclopentyl)benzamide
CID 114550639
3-chloro-N-(cyclopentylmethyl)-4-(3-hydroxyprop-1-ynyl)benzamide
CID 81290449
3-chloro-4-(3-hydroxyprop-1-ynyl)-N-(2-methoxy-2-methylpropyl)benzamide
CID 104764860
3-chloro-N-(5-chloro-2-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzamide
CID 81291280
3-chloro-4-(3-hydroxyprop-1-ynyl)-N-(5-methylhexyl)benzamide
CID 115326942
3-chloro-N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide
CID 79840670
3-chloro-4-(3-hydroxyprop-1-ynyl)-N-(6-methyl-2-pyridinyl)benzamide
CID 81290259
3-chloro-N-cyclopropyl-4-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)benzamide
CID 81290757
3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-(3-hydroxyprop-1-ynyl)benzamide
CID 81292831
3-chloro-4-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82872719
2-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclopropyl)-5-methylbenzamide
CID 81111991
3-chloro-N-(cyclopentylmethyl)-4-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
CID 81291757

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,2-dimethylcyclopropyl)-4-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of 3-chloro-N-(2,2-dimethylcyclopropyl)-4-(3-hydroxyprop-1-ynyl)benzamide (CID 81295895) is 3-chloro-N-(2,2-dimethylcyclopropyl)-4-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for 3-chloro-N-(2,2-dimethylcyclopropyl)-4-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for 3-chloro-N-(2,2-dimethylcyclopropyl)-4-(3-hydroxyprop-1-ynyl)benzamide is CC1(C)CC1NC(=O)c1ccc(C#CCO)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2,2-dimethylcyclopropyl)-4-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is IBVZPUGFDSKPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-15(2)9-13(15)17-14(19)11-6-5-10(4-3-7-18)12(16)8-11/h5-6,8,13,18H,7,9H2,1-2H3,(H,17,19).
What are the key properties of 3-chloro-N-(2,2-dimethylcyclopropyl)-4-(3-hydroxyprop-1-ynyl)benzamide?
3-chloro-N-(2,2-dimethylcyclopropyl)-4-(3-hydroxyprop-1-ynyl)benzamide has a molecular weight of 277.75 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,2-dimethylcyclopropyl)-4-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 81295895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).