(3S)-6-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

C20H19ClN2O3 — CID 25496712

IUPAC(3S)-6-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NC1CC1)c1ccccc1NC(=O)[C@@H]1COc2ccc(Cl)cc2C1
InChIInChI=1S/C20H19ClN2O3/c21-14-5-8-18-12(10-14)9-13(11-26-18)19(24)23-17-4-2-1-3-16(17)20(25)22-15-6-7-15/h1-5,8,10,13,15H,6-7,9,11H2,(H,22,25)(H,23,24)/t13-/m0/s1
InChIKeySXDSTKQFNDYOEY-ZDUSSCGKSA-N
MW370.84 g/mol
LogP3.42
Rot. Bonds4

About (3S)-6-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

(3S)-6-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 25496712) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is (3S)-6-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-6-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID25496712
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name(3S)-6-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NC1CC1)c1ccccc1NC(=O)[C@@H]1COc2ccc(Cl)cc2C1
InChIInChI=1S/C20H19ClN2O3/c21-14-5-8-18-12(10-14)9-13(11-26-18)19(24)23-17-4-2-1-3-16(17)20(25)22-15-6-7-15/h1-5,8,10,13,15H,6-7,9,11H2,(H,22,25)(H,23,24)/t13-/m0/s1
InChIKeySXDSTKQFNDYOEY-ZDUSSCGKSA-N
XLogP3.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 40880949
(3R)-6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9074373
(3S)-6-chloro-N'-(2-chlorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 8870253
6-chloro-N-[2-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55595952
6-chloro-N-[2-(ethylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 119438781
(3R)-6-[(4-chlorobenzoyl)amino]-N-cyclopropyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091533
(3R)-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9083772
N-(2-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 81028513
6-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 126767232
N-(2-amino-5-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 63563206
N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578098
N'-acetyl-6-chloro-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 47118648

Frequently Asked Questions

What is the IUPAC name of (3S)-6-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-6-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 25496712) is (3S)-6-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-6-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-6-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(NC1CC1)c1ccccc1NC(=O)[C@@H]1COc2ccc(Cl)cc2C1.
What is the InChIKey of (3S)-6-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is SXDSTKQFNDYOEY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c21-14-5-8-18-12(10-14)9-13(11-26-18)19(24)23-17-4-2-1-3-16(17)20(25)22-15-6-7-15/h1-5,8,10,13,15H,6-7,9,11H2,(H,22,25)(H,23,24)/t13-/m0/s1.
What are the key properties of (3S)-6-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-6-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 25496712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).