6-[(4-chlorobenzoyl)amino]-2-propyl-3,4-dihydro-2H-chromene-3-carboxamide

C20H21ClN2O3 — CID 165389736

IUPAC6-[(4-chlorobenzoyl)amino]-2-propyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCCC1Oc2ccc(NC(=O)c3ccc(Cl)cc3)cc2CC1C(N)=O
InChIInChI=1S/C20H21ClN2O3/c1-2-3-18-16(19(22)24)11-13-10-15(8-9-17(13)26-18)23-20(25)12-4-6-14(21)7-5-12/h4-10,16,18H,2-3,11H2,1H3,(H2,22,24)(H,23,25)
InChIKeyPRECSOOZLDXNLR-UHFFFAOYSA-N
MW372.85 g/mol
LogP3.80
Rot. Bonds5

About 6-[(4-chlorobenzoyl)amino]-2-propyl-3,4-dihydro-2H-chromene-3-carboxamide

6-[(4-chlorobenzoyl)amino]-2-propyl-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 165389736) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 6-[(4-chlorobenzoyl)amino]-2-propyl-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-[(4-chlorobenzoyl)amino]-2-propyl-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID165389736
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name6-[(4-chlorobenzoyl)amino]-2-propyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCCC1Oc2ccc(NC(=O)c3ccc(Cl)cc3)cc2CC1C(N)=O
InChIInChI=1S/C20H21ClN2O3/c1-2-3-18-16(19(22)24)11-13-10-15(8-9-17(13)26-18)23-20(25)12-4-6-14(21)7-5-12/h4-10,16,18H,2-3,11H2,1H3,(H2,22,24)(H,23,25)
InChIKeyPRECSOOZLDXNLR-UHFFFAOYSA-N
XLogP3.80
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-6-[(4-chlorobenzoyl)amino]-N-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091522
(3R)-6-[(4-chlorobenzoyl)amino]-N-cyclopropyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091533
N-[3-amino-4-(diethylamino)phenyl]-4-chlorobenzamide
CID 91676407
N-[(2R)-4-[(2R)-butan-2-yl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-chlorobenzamide
CID 93120566
(3S)-6-[(4-chlorobenzoyl)amino]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091521
N-[(2R)-4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-methoxybenzamide
CID 93121582
4-chloro-N-[(2S)-2-ethyl-4-[(4-methoxyphenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]benzamide
CID 93121445
5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide
CID 3943330
N-[(2S)-4-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-3,4-dimethoxybenzamide
CID 93121563
2-[6-[(4-cyanobenzoyl)amino]-2-methyl-3,4-dihydro-2H-chromen-3-yl]acetic acid
CID 19697981
4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
CID 27042156
4-chloro-N-[2-methyl-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepin-7-yl]benzamide
CID 42801510

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorobenzoyl)amino]-2-propyl-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-[(4-chlorobenzoyl)amino]-2-propyl-3,4-dihydro-2H-chromene-3-carboxamide (CID 165389736) is 6-[(4-chlorobenzoyl)amino]-2-propyl-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-[(4-chlorobenzoyl)amino]-2-propyl-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-[(4-chlorobenzoyl)amino]-2-propyl-3,4-dihydro-2H-chromene-3-carboxamide is CCCC1Oc2ccc(NC(=O)c3ccc(Cl)cc3)cc2CC1C(N)=O.
What is the InChIKey of 6-[(4-chlorobenzoyl)amino]-2-propyl-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is PRECSOOZLDXNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-2-3-18-16(19(22)24)11-13-10-15(8-9-17(13)26-18)23-20(25)12-4-6-14(21)7-5-12/h4-10,16,18H,2-3,11H2,1H3,(H2,22,24)(H,23,25).
What are the key properties of 6-[(4-chlorobenzoyl)amino]-2-propyl-3,4-dihydro-2H-chromene-3-carboxamide?
6-[(4-chlorobenzoyl)amino]-2-propyl-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 372.85 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorobenzoyl)amino]-2-propyl-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 165389736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).