N-[4-(cyclopropanecarbonyl)phenyl]-2-(1H-indol-3-yl)acetamide

C20H18N2O2 — CID 110604202

IUPACN-[4-(cyclopropanecarbonyl)phenyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1ccc(C(=O)C2CC2)cc1
InChIInChI=1S/C20H18N2O2/c23-19(11-15-12-21-18-4-2-1-3-17(15)18)22-16-9-7-14(8-10-16)20(24)13-5-6-13/h1-4,7-10,12-13,21H,5-6,11H2,(H,22,23)
InChIKeyNYNYZAAXFAUBLH-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.94
Rot. Bonds5

About N-[4-(cyclopropanecarbonyl)phenyl]-2-(1H-indol-3-yl)acetamide

N-[4-(cyclopropanecarbonyl)phenyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 110604202) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[4-(cyclopropanecarbonyl)phenyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(cyclopropanecarbonyl)phenyl]-2-(1H-indol-3-yl)acetamide
PubChem CID110604202
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC NameN-[4-(cyclopropanecarbonyl)phenyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1ccc(C(=O)C2CC2)cc1
InChIInChI=1S/C20H18N2O2/c23-19(11-15-12-21-18-4-2-1-3-17(15)18)22-16-9-7-14(8-10-16)20(24)13-5-6-13/h1-4,7-10,12-13,21H,5-6,11H2,(H,22,23)
InChIKeyNYNYZAAXFAUBLH-UHFFFAOYSA-N
XLogP3.94
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide
CID 2093840
4-(cyclopropanecarbonyl)-N-(1H-indol-3-ylmethyl)benzenesulfonamide
CID 110406911
N-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)acetamide
CID 170716792
N-[6-(cyclopropylamino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113009220
propyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate
CID 2449729
N-[2-(4-acetylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 112999594
N-[4-(cyanomethoxy)phenyl]-2-(1H-indol-3-yl)acetamide
CID 30874167
N-(4-ethoxyphenyl)-4-[[2-(1H-indol-3-yl)acetyl]amino]benzamide
CID 7998970
2-(1H-indol-3-yl)-N-[4-(3-methylpiperidin-1-yl)phenyl]acetamide
CID 112985524
2-(1H-indol-3-yl)-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]acetamide
CID 95785414
N-[4-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 10383237
N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 113002030

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropanecarbonyl)phenyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[4-(cyclopropanecarbonyl)phenyl]-2-(1H-indol-3-yl)acetamide (CID 110604202) is N-[4-(cyclopropanecarbonyl)phenyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[4-(cyclopropanecarbonyl)phenyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[4-(cyclopropanecarbonyl)phenyl]-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)Nc1ccc(C(=O)C2CC2)cc1.
What is the InChIKey of N-[4-(cyclopropanecarbonyl)phenyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is NYNYZAAXFAUBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c23-19(11-15-12-21-18-4-2-1-3-17(15)18)22-16-9-7-14(8-10-16)20(24)13-5-6-13/h1-4,7-10,12-13,21H,5-6,11H2,(H,22,23).
What are the key properties of N-[4-(cyclopropanecarbonyl)phenyl]-2-(1H-indol-3-yl)acetamide?
N-[4-(cyclopropanecarbonyl)phenyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 318.38 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropanecarbonyl)phenyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 110604202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).