N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide

C19H18ClN3O4 — CID 55679062

IUPACN-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
SMILESNC(=O)CNC(=O)c1cccc(NC(=O)C2COc3ccc(Cl)cc3C2)c1
InChIInChI=1S/C19H18ClN3O4/c20-14-4-5-16-12(7-14)6-13(10-27-16)19(26)23-15-3-1-2-11(8-15)18(25)22-9-17(21)24/h1-5,7-8,13H,6,9-10H2,(H2,21,24)(H,22,25)(H,23,26)
InChIKeyCCVUEXAXUQJPTN-UHFFFAOYSA-N
MW387.82 g/mol
LogP1.74
Rot. Bonds5

About N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide

N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 55679062) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID55679062
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC NameN-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
SMILESNC(=O)CNC(=O)c1cccc(NC(=O)C2COc3ccc(Cl)cc3C2)c1
InChIInChI=1S/C19H18ClN3O4/c20-14-4-5-16-12(7-14)6-13(10-27-16)19(26)23-15-3-1-2-11(8-15)18(25)22-9-17(21)24/h1-5,7-8,13H,6,9-10H2,(H2,21,24)(H,22,25)(H,23,26)
InChIKeyCCVUEXAXUQJPTN-UHFFFAOYSA-N
XLogP1.74
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

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Related Compounds

6-chloro-N-[3-(2-methylpropanoylamino)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55609725
(3S)-6-chloro-N-[4-(methylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 9091469
N-[(4-carbamoylphenyl)methyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
CID 46560653
N-[4-(tert-butylcarbamoyl)phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
CID 46540201
3-[[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]amino]propanoic acid
CID 124704665
6-[(3-chlorobenzoyl)amino]-N-cyclopentyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 53123481
(3S)-6-[(3-chlorobenzoyl)amino]-N-cyclopentyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091482
6-chloro-N-[3-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55804721
6-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 24655378
N-[3-(diethylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041040
(3R)-6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9074373
(3S)-6-chloro-N-(4-pyrrolidin-1-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 41492257

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide (CID 55679062) is N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide is NC(=O)CNC(=O)c1cccc(NC(=O)C2COc3ccc(Cl)cc3C2)c1.
What is the InChIKey of N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is CCVUEXAXUQJPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c20-14-4-5-16-12(7-14)6-13(10-27-16)19(26)23-15-3-1-2-11(8-15)18(25)22-9-17(21)24/h1-5,7-8,13H,6,9-10H2,(H2,21,24)(H,22,25)(H,23,26).
What are the key properties of N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide?
N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 387.82 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 55679062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).