N-[[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(diethylamino)benzamide

C23H24ClN5O3 — CID 19900376

IUPACN-[[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(diethylamino)benzamide
SMILESCCN(CC)c1ccccc1C(=O)NC(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(C)c1
InChIInChI=1S/C23H24ClN5O3/c1-4-29(5-2)19-9-7-6-8-18(19)21(30)28-22(31)27-17-10-11-20(15(3)12-17)32-23-25-13-16(24)14-26-23/h6-14H,4-5H2,1-3H3,(H2,27,28,30,31)
InChIKeyTZRNXGVSLQCKOW-UHFFFAOYSA-N
MW453.93 g/mol
LogP5.04
Rot. Bonds7

About N-[[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(diethylamino)benzamide

N-[[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(diethylamino)benzamide (PubChem CID 19900376) has the molecular formula C23H24ClN5O3 and a molecular weight of 453.93 g/mol. Its IUPAC name is N-[[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(diethylamino)benzamide.

Molecular Properties

Compound NameN-[[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(diethylamino)benzamide
PubChem CID19900376
Molecular FormulaC23H24ClN5O3
Molecular Weight453.93 g/mol
Exact Mass453.16
IUPAC NameN-[[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(diethylamino)benzamide
SMILESCCN(CC)c1ccccc1C(=O)NC(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(C)c1
InChIInChI=1S/C23H24ClN5O3/c1-4-29(5-2)19-9-7-6-8-18(19)21(30)28-22(31)27-17-10-11-20(15(3)12-17)32-23-25-13-16(24)14-26-23/h6-14H,4-5H2,1-3H3,(H2,27,28,30,31)
InChIKeyTZRNXGVSLQCKOW-UHFFFAOYSA-N
XLogP5.04
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.93
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]carbamoylcarbamoyl]-N-hydroxybenzeneamine oxide
CID 21141267
N-[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]butanamide
CID 11722658
2-chloro-N-[[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-3-methylphenyl]carbamoyl]benzamide
CID 19072978
2-[[3-(5-chloropyrimidin-2-yl)oxy-4-ethylphenyl]carbamoylcarbamoyl]-N-hydroxybenzeneamine oxide
CID 21141269
N-[[4-(5-bromopyrimidin-2-yl)oxy-3-(methylsulfanylmethyl)phenyl]carbamoyl]-2-(dimethylamino)benzamide
CID 24834296
N-[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]heptanamide
CID 10043319
2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
CID 70629375
N-[[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-4-methoxybicyclo[2.1.1]hexane-2-carboxamide
CID 168937870
N-[[4-(5-bromopyrimidin-2-yl)oxy-3-nitrophenyl]carbamoyl]-2-(dimethylamino)benzamide
CID 24834297
2-amino-N-[(3-methyl-4-pyrazin-2-yloxyphenyl)carbamoyl]benzamide
CID 129188553
N-[[4-(5-chloropyrimidin-2-yl)oxyphenyl]carbamoyl]-2-piperidin-1-ylbenzamide
CID 24834316
2-(2-aminopropanoylamino)-N-[[4-(5-bromopyrimidin-2-yl)oxy-3-chlorophenyl]carbamoyl]benzamide
CID 15295814

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(diethylamino)benzamide?
The IUPAC name of N-[[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(diethylamino)benzamide (CID 19900376) is N-[[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(diethylamino)benzamide.
What is the SMILES notation for N-[[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(diethylamino)benzamide?
The canonical SMILES for N-[[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(diethylamino)benzamide is CCN(CC)c1ccccc1C(=O)NC(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(C)c1.
What is the InChIKey of N-[[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(diethylamino)benzamide?
The InChIKey is TZRNXGVSLQCKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O3/c1-4-29(5-2)19-9-7-6-8-18(19)21(30)28-22(31)27-17-10-11-20(15(3)12-17)32-23-25-13-16(24)14-26-23/h6-14H,4-5H2,1-3H3,(H2,27,28,30,31).
What are the key properties of N-[[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(diethylamino)benzamide?
N-[[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(diethylamino)benzamide has a molecular weight of 453.93 g/mol, XLogP of 5.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(diethylamino)benzamide is sourced from PubChem (CID 19900376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).