2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide

C21H25ClN2O2 — CID 60512921

IUPAC2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESCC(C)N(CC(=O)NC1CCOc2ccccc21)Cc1cccc(Cl)c1
InChIInChI=1S/C21H25ClN2O2/c1-15(2)24(13-16-6-5-7-17(22)12-16)14-21(25)23-19-10-11-26-20-9-4-3-8-18(19)20/h3-9,12,15,19H,10-11,13-14H2,1-2H3,(H,23,25)
InChIKeyTWIWWDHFRXLNRI-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.19
Rot. Bonds6

About 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide

2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide (PubChem CID 60512921) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
PubChem CID60512921
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESCC(C)N(CC(=O)NC1CCOc2ccccc21)Cc1cccc(Cl)c1
InChIInChI=1S/C21H25ClN2O2/c1-15(2)24(13-16-6-5-7-17(22)12-16)14-21(25)23-19-10-11-26-20-9-4-3-8-18(19)20/h3-9,12,15,19H,10-11,13-14H2,1-2H3,(H,23,25)
InChIKeyTWIWWDHFRXLNRI-UHFFFAOYSA-N
XLogP4.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-chlorophenyl)methylsulfonyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 92614646
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 18164397
N-(3,4-dihydro-2H-chromen-4-yl)-2-(2-methyl-N-propan-2-ylanilino)acetamide
CID 86893526
2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(phenylcarbamoyl)acetamide
CID 60512943
N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide
CID 86885972
2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 17398547
2-[(3-chlorophenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9251398
N-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methoxyphenyl)propanamide
CID 110750844
N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81366354
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 40938536
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide
CID 63309102
3,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46813722

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide (CID 60512921) is 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide is CC(C)N(CC(=O)NC1CCOc2ccccc21)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The InChIKey is TWIWWDHFRXLNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-15(2)24(13-16-6-5-7-17(22)12-16)14-21(25)23-19-10-11-26-20-9-4-3-8-18(19)20/h3-9,12,15,19H,10-11,13-14H2,1-2H3,(H,23,25).
What are the key properties of 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide has a molecular weight of 372.90 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide is sourced from PubChem (CID 60512921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).