2-chloro-4-(dimethylcarbamoylamino)-N-(2-ethylpyrimidin-5-yl)benzamide

C16H18ClN5O2 — CID 138044558

IUPAC2-chloro-4-(dimethylcarbamoylamino)-N-(2-ethylpyrimidin-5-yl)benzamide
SMILESCCc1ncc(NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)cn1
InChIInChI=1S/C16H18ClN5O2/c1-4-14-18-8-11(9-19-14)20-15(23)12-6-5-10(7-13(12)17)21-16(24)22(2)3/h5-9H,4H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyQEOBKDNETVSLNM-UHFFFAOYSA-N
MW347.81 g/mol
LogP3.04
Rot. Bonds4

About 2-chloro-4-(dimethylcarbamoylamino)-N-(2-ethylpyrimidin-5-yl)benzamide

2-chloro-4-(dimethylcarbamoylamino)-N-(2-ethylpyrimidin-5-yl)benzamide (PubChem CID 138044558) has the molecular formula C16H18ClN5O2 and a molecular weight of 347.81 g/mol. Its IUPAC name is 2-chloro-4-(dimethylcarbamoylamino)-N-(2-ethylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4-(dimethylcarbamoylamino)-N-(2-ethylpyrimidin-5-yl)benzamide
PubChem CID138044558
Molecular FormulaC16H18ClN5O2
Molecular Weight347.81 g/mol
Exact Mass347.11
IUPAC Name2-chloro-4-(dimethylcarbamoylamino)-N-(2-ethylpyrimidin-5-yl)benzamide
SMILESCCc1ncc(NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)cn1
InChIInChI=1S/C16H18ClN5O2/c1-4-14-18-8-11(9-19-14)20-15(23)12-6-5-10(7-13(12)17)21-16(24)22(2)3/h5-9H,4H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyQEOBKDNETVSLNM-UHFFFAOYSA-N
XLogP3.04
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-(dimethylcarbamoylamino)-N-(2-ethylpyrimidin-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-(dimethylcarbamoylamino)-N-(2-hydroxy-5-methylphenyl)benzamide
CID 122156506
3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea
CID 175137173
3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea
CID 19834572
2-chloro-4-(diethylcarbamoylamino)-N-methylbenzamide
CID 47325825
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286
N-(3-amino-4-ethylphenyl)-2-chloro-4-methylbenzamide
CID 106860388
2-chloro-4-(dimethylcarbamoylamino)-N-(2-thiophen-2-ylethyl)benzamide
CID 71912796
4-amino-2-chloro-N-[6-(diethylamino)-3-pyridinyl]benzamide
CID 119845916
2-chloro-4-[[methyl-[(3-methyl-4-pyridinyl)methyl]carbamoyl]amino]-N-propylbenzamide
CID 118778111
2-chloro-N-[2-(dimethylamino)pyrimidin-5-yl]-4-nitrobenzamide
CID 122298152
2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide
CID 885992
3-[[3-chloro-4-(propylcarbamoyl)phenyl]carbamoyl-methylamino]propanoic acid
CID 122077547

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(dimethylcarbamoylamino)-N-(2-ethylpyrimidin-5-yl)benzamide?
The IUPAC name of 2-chloro-4-(dimethylcarbamoylamino)-N-(2-ethylpyrimidin-5-yl)benzamide (CID 138044558) is 2-chloro-4-(dimethylcarbamoylamino)-N-(2-ethylpyrimidin-5-yl)benzamide.
What is the SMILES notation for 2-chloro-4-(dimethylcarbamoylamino)-N-(2-ethylpyrimidin-5-yl)benzamide?
The canonical SMILES for 2-chloro-4-(dimethylcarbamoylamino)-N-(2-ethylpyrimidin-5-yl)benzamide is CCc1ncc(NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)cn1.
What is the InChIKey of 2-chloro-4-(dimethylcarbamoylamino)-N-(2-ethylpyrimidin-5-yl)benzamide?
The InChIKey is QEOBKDNETVSLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O2/c1-4-14-18-8-11(9-19-14)20-15(23)12-6-5-10(7-13(12)17)21-16(24)22(2)3/h5-9H,4H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 2-chloro-4-(dimethylcarbamoylamino)-N-(2-ethylpyrimidin-5-yl)benzamide?
2-chloro-4-(dimethylcarbamoylamino)-N-(2-ethylpyrimidin-5-yl)benzamide has a molecular weight of 347.81 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(dimethylcarbamoylamino)-N-(2-ethylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 138044558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).