N-[1-[(4-bromophenyl)methyl-methylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

C22H27BrN2O2 — CID 55328947

IUPACN-[1-[(4-bromophenyl)methyl-methylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C22H27BrN2O2/c1-15(2)13-20(24-21(26)19-8-6-5-7-16(19)3)22(27)25(4)14-17-9-11-18(23)12-10-17/h5-12,15,20H,13-14H2,1-4H3,(H,24,26)
InChIKeyFDSHKNFNDVRMPI-UHFFFAOYSA-N
MW431.37 g/mol
LogP4.56
Rot. Bonds7

About N-[1-[(4-bromophenyl)methyl-methylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

N-[1-[(4-bromophenyl)methyl-methylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (PubChem CID 55328947) has the molecular formula C22H27BrN2O2 and a molecular weight of 431.37 g/mol. Its IUPAC name is N-[1-[(4-bromophenyl)methyl-methylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(4-bromophenyl)methyl-methylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
PubChem CID55328947
Molecular FormulaC22H27BrN2O2
Molecular Weight431.37 g/mol
Exact Mass430.13
IUPAC NameN-[1-[(4-bromophenyl)methyl-methylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C22H27BrN2O2/c1-15(2)13-20(24-21(26)19-8-6-5-7-16(19)3)22(27)25(4)14-17-9-11-18(23)12-10-17/h5-12,15,20H,13-14H2,1-4H3,(H,24,26)
InChIKeyFDSHKNFNDVRMPI-UHFFFAOYSA-N
XLogP4.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 47101431
N-[1-[(4-cyanophenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
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2-methyl-N-[(2S)-3-methyl-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxobutan-2-yl]benzamide
CID 31445121
N-[1-(3-bromoanilino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
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2-methyl-N-[4-methyl-1-(5-methylhexan-2-ylamino)-1-oxopentan-2-yl]benzamide
CID 112789345
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CID 97072625
2-methyl-N-[4-methyl-1-oxo-1-(1,2,4-triazol-4-ylamino)pentan-2-yl]benzamide
CID 75413015
2,4-dichloro-N-[1-[(3,4-difluorophenyl)methyl-methylamino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 55558112
2-methyl-N-[4-methyl-1-[3-[methyl(methylsulfonyl)amino]propylamino]-1-oxopentan-2-yl]benzamide
CID 46434255
N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-(methylamino)benzamide
CID 61376513
N-[(2R)-1-[2-(2-fluorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 9402546
2-methyl-N-[(2S)-4-methyl-1-(2-methylsulfanylanilino)-1-oxopentan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-bromophenyl)methyl-methylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[(4-bromophenyl)methyl-methylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (CID 55328947) is N-[1-[(4-bromophenyl)methyl-methylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[(4-bromophenyl)methyl-methylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[(4-bromophenyl)methyl-methylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC(CC(C)C)C(=O)N(C)Cc1ccc(Br)cc1.
What is the InChIKey of N-[1-[(4-bromophenyl)methyl-methylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The InChIKey is FDSHKNFNDVRMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN2O2/c1-15(2)13-20(24-21(26)19-8-6-5-7-16(19)3)22(27)25(4)14-17-9-11-18(23)12-10-17/h5-12,15,20H,13-14H2,1-4H3,(H,24,26).
What are the key properties of N-[1-[(4-bromophenyl)methyl-methylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
N-[1-[(4-bromophenyl)methyl-methylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide has a molecular weight of 431.37 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-bromophenyl)methyl-methylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 55328947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).