N-(3-bromophenyl)-2-[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]acetamide

C19H23BrN2O2 — CID 97341331

IUPACN-(3-bromophenyl)-2-[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]acetamide
SMILESCOc1ccc([C@H](C)[C@@H](C)NCC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C19H23BrN2O2/c1-13(15-7-9-18(24-3)10-8-15)14(2)21-12-19(23)22-17-6-4-5-16(20)11-17/h4-11,13-14,21H,12H2,1-3H3,(H,22,23)/t13-,14-/m1/s1
InChIKeySFMWANULNSKCGM-ZIAGYGMSSA-N
MW391.31 g/mol
LogP4.18
Rot. Bonds7

About N-(3-bromophenyl)-2-[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]acetamide

N-(3-bromophenyl)-2-[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]acetamide (PubChem CID 97341331) has the molecular formula C19H23BrN2O2 and a molecular weight of 391.31 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]acetamide
PubChem CID97341331
Molecular FormulaC19H23BrN2O2
Molecular Weight391.31 g/mol
Exact Mass390.09
IUPAC NameN-(3-bromophenyl)-2-[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]acetamide
SMILESCOc1ccc([C@H](C)[C@@H](C)NCC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C19H23BrN2O2/c1-13(15-7-9-18(24-3)10-8-15)14(2)21-12-19(23)22-17-6-4-5-16(20)11-17/h4-11,13-14,21H,12H2,1-3H3,(H,22,23)/t13-,14-/m1/s1
InChIKeySFMWANULNSKCGM-ZIAGYGMSSA-N
XLogP4.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromophenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide
CID 1055744
N-(3-bromophenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 7765787
N-(3-methoxyphenyl)-2-(3-methylpentan-2-ylamino)acetamide
CID 61463325
2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-phenylacetamide
CID 81368463
N-(3-bromophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide
CID 41086503
N-(3-bromophenyl)-4-(4-methoxyphenyl)butanamide
CID 838500
2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9001033
N-(3-bromophenyl)-2-(4-methoxyanilino)propanamide
CID 51242436
2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-3-methylbutanamide
CID 103914228
N-(3-bromophenyl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81352967
2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-bromophenyl)acetamide
CID 78933587
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 2491478

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]acetamide (CID 97341331) is N-(3-bromophenyl)-2-[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]acetamide is COc1ccc([C@H](C)[C@@H](C)NCC(=O)Nc2cccc(Br)c2)cc1.
What is the InChIKey of N-(3-bromophenyl)-2-[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]acetamide?
The InChIKey is SFMWANULNSKCGM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H23BrN2O2/c1-13(15-7-9-18(24-3)10-8-15)14(2)21-12-19(23)22-17-6-4-5-16(20)11-17/h4-11,13-14,21H,12H2,1-3H3,(H,22,23)/t13-,14-/m1/s1.
What are the key properties of N-(3-bromophenyl)-2-[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]acetamide?
N-(3-bromophenyl)-2-[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]acetamide has a molecular weight of 391.31 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]acetamide is sourced from PubChem (CID 97341331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).