3-(3-chlorophenyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide

C21H21ClN2O2 — CID 110623369

IUPAC3-(3-chlorophenyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide
SMILESO=C(CCc1cccc(Cl)c1)Nc1ccc2c(c1)CCN2C(=O)C1CC1
InChIInChI=1S/C21H21ClN2O2/c22-17-3-1-2-14(12-17)4-9-20(25)23-18-7-8-19-16(13-18)10-11-24(19)21(26)15-5-6-15/h1-3,7-8,12-13,15H,4-6,9-11H2,(H,23,25)
InChIKeyDRACIVDTNJJHKJ-UHFFFAOYSA-N
MW368.86 g/mol
LogP4.21
Rot. Bonds5

About 3-(3-chlorophenyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide

3-(3-chlorophenyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide (PubChem CID 110623369) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide
PubChem CID110623369
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name3-(3-chlorophenyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide
SMILESO=C(CCc1cccc(Cl)c1)Nc1ccc2c(c1)CCN2C(=O)C1CC1
InChIInChI=1S/C21H21ClN2O2/c22-17-3-1-2-14(12-17)4-9-20(25)23-18-7-8-19-16(13-18)10-11-24(19)21(26)15-5-6-15/h1-3,7-8,12-13,15H,4-6,9-11H2,(H,23,25)
InChIKeyDRACIVDTNJJHKJ-UHFFFAOYSA-N
XLogP4.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-(4-fluorophenyl)propanamide
CID 110623188
3-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 110303825
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
CID 42424044
3-(3-chlorophenyl)-N-phenylpropanamide
CID 1407295
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110623398
[5-(2-chloroethyl)-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 82260509
N-(4-bromophenyl)-3-(3-chlorophenyl)propanamide
CID 1407353
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide
CID 7656487
N-[1-(1-acetyl-4,6,6-trimethylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-quinolin-6-yl]-3-(3-chlorophenyl)propanamide
CID 129018310
2-chloro-5-[3-(3-chlorophenyl)propanoylamino]-N-cyclopropylbenzamide
CID 87026452
3-acetamido-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]propanamide
CID 110353642
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(4-fluorophenyl)butanamide
CID 110312996

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide (CID 110623369) is 3-(3-chlorophenyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide is O=C(CCc1cccc(Cl)c1)Nc1ccc2c(c1)CCN2C(=O)C1CC1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide?
The InChIKey is DRACIVDTNJJHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c22-17-3-1-2-14(12-17)4-9-20(25)23-18-7-8-19-16(13-18)10-11-24(19)21(26)15-5-6-15/h1-3,7-8,12-13,15H,4-6,9-11H2,(H,23,25).
What are the key properties of 3-(3-chlorophenyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide?
3-(3-chlorophenyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide has a molecular weight of 368.86 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide is sourced from PubChem (CID 110623369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).