(2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-N,N,4-trimethylpentanamide

C15H21Cl2N3O2 — CID 51957415

IUPAC(2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-N,N,4-trimethylpentanamide
SMILESCC(C)C[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)N(C)C
InChIInChI=1S/C15H21Cl2N3O2/c1-9(2)7-13(14(21)20(3)4)19-15(22)18-10-5-6-11(16)12(17)8-10/h5-6,8-9,13H,7H2,1-4H3,(H2,18,19,22)/t13-/m1/s1
InChIKeyDLSAXCJBTZHBSM-CYBMUJFWSA-N
MW346.26 g/mol
LogP3.62
Rot. Bonds5

About (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-N,N,4-trimethylpentanamide

(2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-N,N,4-trimethylpentanamide (PubChem CID 51957415) has the molecular formula C15H21Cl2N3O2 and a molecular weight of 346.26 g/mol. Its IUPAC name is (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-N,N,4-trimethylpentanamide.

Molecular Properties

Compound Name(2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-N,N,4-trimethylpentanamide
PubChem CID51957415
Molecular FormulaC15H21Cl2N3O2
Molecular Weight346.26 g/mol
Exact Mass345.10
IUPAC Name(2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-N,N,4-trimethylpentanamide
SMILESCC(C)C[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)N(C)C
InChIInChI=1S/C15H21Cl2N3O2/c1-9(2)7-13(14(21)20(3)4)19-15(22)18-10-5-6-11(16)12(17)8-10/h5-6,8-9,13H,7H2,1-4H3,(H2,18,19,22)/t13-/m1/s1
InChIKeyDLSAXCJBTZHBSM-CYBMUJFWSA-N
XLogP3.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(3-chloro-4-methylphenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide
CID 127038916
2-[(4-chloro-3-fluorophenyl)carbamoylamino]-4-methylpentanoic acid
CID 61468440
1-(3,4-dichlorophenyl)-3-(1-hydroxypropan-2-yl)urea
CID 43417317
1-(3,4-dichlorophenyl)-3-[(2S)-pentan-2-yl]urea
CID 41098235
methyl (2S)-2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-4-methylpentanoate
CID 944223
methyl (2S)-2-[[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-4-methylpentanoate
CID 8551951
(2S)-2-[(3,4-dichlorophenyl)carbamoylamino]propanoic acid
CID 945760
3-(3,4-dichlorophenyl)-1-methyl-1-(2-methylpropyl)urea
CID 47278262
2-[(3,4-dichlorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81076508
1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-1-phenylethyl]urea
CID 24528764
1-(1-amino-1-sulfanylidenepropan-2-yl)-3-(3,4-dichlorophenyl)urea
CID 61122804
2-chloro-4-(4-methylpentan-2-ylcarbamoylamino)benzoic acid
CID 61399288

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-N,N,4-trimethylpentanamide?
The IUPAC name of (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-N,N,4-trimethylpentanamide (CID 51957415) is (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-N,N,4-trimethylpentanamide.
What is the SMILES notation for (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-N,N,4-trimethylpentanamide?
The canonical SMILES for (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-N,N,4-trimethylpentanamide is CC(C)C[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)N(C)C.
What is the InChIKey of (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-N,N,4-trimethylpentanamide?
The InChIKey is DLSAXCJBTZHBSM-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21Cl2N3O2/c1-9(2)7-13(14(21)20(3)4)19-15(22)18-10-5-6-11(16)12(17)8-10/h5-6,8-9,13H,7H2,1-4H3,(H2,18,19,22)/t13-/m1/s1.
What are the key properties of (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-N,N,4-trimethylpentanamide?
(2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-N,N,4-trimethylpentanamide has a molecular weight of 346.26 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-N,N,4-trimethylpentanamide is sourced from PubChem (CID 51957415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).