2-(carbamoylamino)-N-[6-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]acetamide

C19H20FN3O3 — CID 172671419

IUPAC2-(carbamoylamino)-N-[6-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESCc1ccc(F)c(-c2ccc3c(c2)C(NC(=O)CNC(N)=O)CCO3)c1
InChIInChI=1S/C19H20FN3O3/c1-11-2-4-15(20)13(8-11)12-3-5-17-14(9-12)16(6-7-26-17)23-18(24)10-22-19(21)25/h2-5,8-9,16H,6-7,10H2,1H3,(H,23,24)(H3,21,22,25)
InChIKeyZSQGGJHCIXVFMP-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.41
Rot. Bonds4

About 2-(carbamoylamino)-N-[6-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]acetamide

2-(carbamoylamino)-N-[6-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]acetamide (PubChem CID 172671419) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[6-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]acetamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[6-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
PubChem CID172671419
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name2-(carbamoylamino)-N-[6-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESCc1ccc(F)c(-c2ccc3c(c2)C(NC(=O)CNC(N)=O)CCO3)c1
InChIInChI=1S/C19H20FN3O3/c1-11-2-4-15(20)13(8-11)12-3-5-17-14(9-12)16(6-7-26-17)23-18(24)10-22-19(21)25/h2-5,8-9,16H,6-7,10H2,1H3,(H,23,24)(H3,21,22,25)
InChIKeyZSQGGJHCIXVFMP-UHFFFAOYSA-N
XLogP2.41
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108734105
4-[(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]-4-oxobutanoic acid
CID 110481780
4-(2-methoxy-5-methylphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-4-oxobutanamide
CID 108734145
N-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 17394400
N-[2-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 9047848
4-(4-methoxyphenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide
CID 108757532
2,2,2-trichloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108734077
N-(7-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)pentanamide
CID 110479488
N-[6-(2,4-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-1,3-oxazole-4-carboxamide
CID 172670199
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108742310
2-chloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108734122
2-bromo-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide
CID 108734108

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[6-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]acetamide?
The IUPAC name of 2-(carbamoylamino)-N-[6-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]acetamide (CID 172671419) is 2-(carbamoylamino)-N-[6-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]acetamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[6-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]acetamide?
The canonical SMILES for 2-(carbamoylamino)-N-[6-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]acetamide is Cc1ccc(F)c(-c2ccc3c(c2)C(NC(=O)CNC(N)=O)CCO3)c1.
What is the InChIKey of 2-(carbamoylamino)-N-[6-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]acetamide?
The InChIKey is ZSQGGJHCIXVFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-11-2-4-15(20)13(8-11)12-3-5-17-14(9-12)16(6-7-26-17)23-18(24)10-22-19(21)25/h2-5,8-9,16H,6-7,10H2,1H3,(H,23,24)(H3,21,22,25).
What are the key properties of 2-(carbamoylamino)-N-[6-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]acetamide?
2-(carbamoylamino)-N-[6-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]acetamide has a molecular weight of 357.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[6-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]acetamide is sourced from PubChem (CID 172671419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).